{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.cyclopropenone","code":"thing-q21099673","url":"https://ver.cy/models/thing/q21099673/","name":"cyclopropenone","alternateNames":[],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"Cyclopropenone is the organic compound C3H2O, consisting of a three-membered carbon ring with a carbonyl group at one vertex and a carbon-carbon double bond between the other two vertices.","purpose":"Enable an agent to recognise cyclopropenone, assess the identity and condition of a sample or observation, and determine which uses are supported by evidence.","scope":{"in":["Parent molecular identity and verified chemical identifiers","Sample purity, concentration, isotopic composition, and surrounding medium","Physical properties and persistence under recorded conditions","Spectroscopic identification and discrimination from related compounds","Evidence for transformations, hazards, and applicable handling constraints"],"out":["Substituted cyclopropenones, including diphenylcyclopropenone, as independent substances","Cyclopropanone and other distinct molecular structures","Complete formulations or commercial products containing cyclopropenone","Manufacturing processes and laboratory apparatus","Astronomical environments in which cyclopropenone is observed"],"boundaries":[]},"distinguishingFeatures":["The parent has formula C3H2O and a three-carbon ring containing a carbonyl-bearing carbon and a double bond between the other two carbons; PubChem identifies it as CID 137779. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/137779)","The two non-carbonyl ring carbons each bear hydrogen; replacing either hydrogen with another group produces a substituted cyclopropenone outside this parent identity.","Cyclopropanone has a saturated ring and formula C3H4O, so the similar name must not establish equivalence.","Formula or mass alone cannot distinguish cyclopropenone from other C3H2O connectivities; identification requires evidence supporting the cyclic structure.","Spectral matching must distinguish isotopologues and measured transitions from calculated predictions. Cyclopropenone has both experimental and computational spectroscopic literature. [Spectroscopic analysis](https://doi.org/10.1021/acs.jpca.5c05429)"],"structure":{"bundles":[{"id":"parent-identity-and-boundaries","name":"Parent identity and boundaries","description":"Establish exactly which molecular entity the registry entry represents.","layers":[{"id":"molecular-connectivity","name":"Molecular connectivity","description":"Recognise the neutral parent through composition and ring connectivity.","findings":[{"id":"unsubstituted-ring-identity","name":"Unsubstituted ring identity","description":"The identity anchor is the C3H2O parent with a three-membered carbon ring and an exocyclic carbonyl oxygen. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/137779)","questions":[{"text":"Does the asserted structure contain the carbonyl-bearing ring carbon and the double bond between the two hydrogen-bearing ring carbons?","id":"unsubstituted-ring-identity-q01","kind":"definition"},{"text":"Does the evidence describe the neutral parent, a substituted derivative, an ion, or an isotopically labelled form?","id":"unsubstituted-ring-identity-q02","kind":"boundary"}]}]},{"id":"record-reconciliation","name":"Record reconciliation","description":"Connect names and identifiers to the same parent structure.","findings":[{"id":"structure-checked-identifiers","name":"Structure-checked identifiers","description":"External identifiers require a structure check before their properties or restrictions are imported.","questions":[{"text":"Which authoritative records establish the CAS, PubChem, and any EC identifier for this exact parent?","id":"structure-checked-identifiers-q01","kind":"provenance"},{"text":"Does a source use cyclopropenone to mean the parent compound or the entire family of substituted cyclopropenones?","id":"structure-checked-identifiers-q02","kind":"boundary"}]}]}]},{"id":"sample-state-and-persistence","name":"Sample state and persistence","description":"Describe how much parent is present, its surroundings, and whether it persists through the intended observation or use.","layers":[{"id":"composition-and-presentation","name":"Composition and presentation","description":"Establish the material context in which cyclopropenone is being considered.","findings":[{"id":"parent-content-in-context","name":"Parent content in context","description":"Record the parent abundance together with solvent, matrix, impurities, isotopic composition, and sampling time.","questions":[{"text":"What measured fraction or concentration is assigned to parent cyclopropenone, and by which method?","id":"parent-content-in-context-q01","kind":"measurement"},{"text":"Which solvent, matrix, precursor residues, or other components accompany the parent and could affect its observed behaviour?","id":"parent-content-in-context-q02","kind":"boundary"}]}]},{"id":"physical-properties-and-time","name":"Physical properties and time","description":"Qualify physical observations by conditions and persistence of the parent.","findings":[{"id":"condition-qualified-state","name":"Condition-qualified state","description":"Accept phase and thermal values only with conditions and evidence distinguishing a physical transition from chemical change.","questions":[{"text":"At what temperature, pressure, and composition was the phase or thermal transition measured, and was decomposition excluded?","id":"condition-qualified-state-q01","kind":"measurement"},{"text":"Over the relevant time interval, what evidence shows that the parent concentration and identity remain adequate for the proposed use?","id":"condition-qualified-state-q02","kind":"action"}]}]}]},{"id":"spectroscopic-recognition","name":"Spectroscopic recognition","description":"Evaluate evidence that an observed signal belongs to cyclopropenone.","layers":[{"id":"reference-signatures","name":"Reference signatures","description":"Maintain the origin and applicability of spectral reference information.","findings":[{"id":"qualified-spectral-reference","name":"Qualified spectral reference","description":"Separate measured reference spectra from calculated line lists, retaining isotopologue, state, and uncertainty. Both forms of evidence are represented in cyclopropenone spectroscopy research. [Spectroscopic analysis](https://doi.org/10.1021/acs.jpca.5c05429)","questions":[{"text":"Which measured or calculated reference supports each assigned cyclopropenone transition?","id":"qualified-spectral-reference-q01","kind":"provenance"},{"text":"What isotopologue, temperature range, frequency uncertainty, and molecular state apply to that reference?","id":"qualified-spectral-reference-q02","kind":"measurement"}]}]},{"id":"assignment-confidence","name":"Assignment confidence","description":"Test whether the observations distinguish cyclopropenone from plausible alternatives.","findings":[{"id":"alternative-species-exclusion","name":"Alternative species exclusion","description":"Identification should explain competing assignments and the limits of the available observations.","questions":[{"text":"Which independent spectral features distinguish the parent from other C3H2O structures, precursor signals, and substituted cyclopropenones?","id":"alternative-species-exclusion-q01","kind":"boundary"},{"text":"Are the observed positions, intensities, and missing expected features consistent with the proposed assignment under the measurement conditions?","id":"alternative-species-exclusion-q02","kind":"measurement"}]}]}]},{"id":"transformations-and-handling","name":"Transformations and handling","description":"Connect evidence about parent-specific chemical change to decisions about use and handling.","layers":[{"id":"transformation-evidence","name":"Transformation evidence","description":"Establish which reactions or degradation pathways are demonstrated for the parent under relevant conditions.","findings":[{"id":"parent-specific-pathways","name":"Parent-specific pathways","description":"Record transformation claims with verified starting identity, conditions, product evidence, and applicability limits.","questions":[{"text":"Which thermal, photochemical, or reagent-induced transformations have been demonstrated for unsubstituted cyclopropenone itself?","id":"parent-specific-pathways-q01","kind":"provenance"},{"text":"What product measurements and parent-consumption data support the claimed pathway under the proposed conditions?","id":"parent-specific-pathways-q02","kind":"measurement"}]}]},{"id":"handling-decision-evidence","name":"Handling decision evidence","description":"Identify the evidence needed to support a particular storage, measurement, transfer, or disposal action.","findings":[{"id":"applicable-hazard-record","name":"Applicable hazard record","description":"Distinguish parent-specific hazard knowledge from mixture classifications, derivative data, and unresolved hazards.","questions":[{"text":"Which current hazard classification, exposure limit, and handling assessment explicitly apply to the parent or to the actual sample composition?","id":"applicable-hazard-record-q01","kind":"provenance"},{"text":"Given the sample amount, medium, persistence, and demonstrated transformation products, what handling conditions are supported and what decision-critical evidence is missing?","id":"applicable-hazard-record-q02","kind":"action"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of cyclopropenone this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of cyclopropenone this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-real-world-use","name":"Real-world use","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these real-world use hold for the sense of cyclopropenone this model covers, and on what evidence?","id":"evidence-real-world-use-q01","kind":"provenance"}]},{"id":"evidence-measurements","name":"Typical measurements","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these typical measurements hold for the sense of cyclopropenone this model covers, and on what evidence?","id":"evidence-measurements-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of cyclopropenone this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Explain cyclopropenone's strained ring structure and its interest in organic chemistry.","Report hazards and handling guidance from the literature and safety data sheets."],"mustNot":["Handle it outside a supervised laboratory equipped for reactive compounds.","Provide preparation procedures to people outside a supervised laboratory.","Store it in a way that allows uncontrolled decomposition or polymerization."],"requiresHuman":["Approving storage or disposal of reactive strained compounds."]},"ethics":{"considerations":["Reactive compounds endanger laboratory workers if handled carelessly.","Accurate reporting matters for research that others build on."],"affectedParties":["Laboratory workers","Students","Waste handlers"]},"owners":{"steward":"The laboratory or business that holds it; chemical safety authorities regulate supply and use.","roles":[],"masterSystems":[]},"relations":[{"target":"Q11173","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.cyclopropenone","Wikidata: Q21099673 (https://www.wikidata.org/wiki/Q21099673)"]},"properties":{"applicability":"required","items":["Parent molecular identity: C3H2O; connectivity O=C1C=C1; neutral unsubstituted parent","Verified identifier mapping: Registry id vr.tr.cyclopropenone; PubChem CID 137779; CAS and EC identifiers only with verified provenance","Parent abundance and sample purity: Mass fraction or mole fraction; solution concentration in mol/L; method, uncertainty, and measurement time","Physical presentation: Neat condensed sample, solution, gas, matrix-isolated species, remote observation, or unresolved","Environmental conditions: Temperature in K; pressure in Pa; solvent or matrix identity; exposure duration in s; illumination wavelength in nm where relevant","Condition-qualified physical constants: Melting and boiling temperatures in K, with pressure and decomposition qualification; other constants only when sourced","Spectroscopic signature: Rotational frequencies in MHz or GHz; vibrational wavenumbers in cm^-1; isotopologue, assignment, uncertainty, and evidence type","Transformation status: Parent detected, partly transformed, no longer detected, or unresolved; products and analytical detection limits","Hazard and regulatory evidence: Parent-specific assessment or SDS; jurisdiction; revision date; classification and exposure limits if established; otherwise unknown"]},"recognition":{"applicability":"required","items":["Identified by container label, chemical name and identifier, and certificate of analysis rather than by appearance alone."]},"capabilities":{"applicability":"required","items":["Reconcile a named substance record with the parent cyclopropenone structure.","Assess whether analytical observations adequately identify cyclopropenone.","Compare physical or spectral measurements made under compatible conditions.","Track parent abundance and transformation during storage or measurement.","Determine whether a proposed use is supported by parent-specific identity, stability, and hazard evidence."]},"hazards":{"applicability":"required","items":["Instability and uncontrolled reactions.","Unknown toxicity of a reactive small molecule."]},"interfaces":{"applicability":"required","items":["Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations."]},"context":{"applicability":"required","items":["Cyclopropenone is encountered in specialist chemical research on small carbon rings, molecular bonding and reactivity.","Its molecular structure and spectra are studied to interpret laboratory observations and investigate the behavior of strained ring compounds."]}},"sources":[{"title":"Wikidata item Q21099673: cyclopropenone","url":"https://www.wikidata.org/wiki/Q21099673","note":"identity and sense of the item"},{"title":"Wikipedia: Cyclopropenone","url":"https://en.wikipedia.org/wiki/Cyclopropenone","note":"general description of the item"}],"openQuestions":["Which CAS and EC identifiers are verified for the unsubstituted parent, and do available supplier records refer to that exact substance?","Which reported melting and boiling points are experimental parent-compound measurements, with pressure, purity, and decomposition behaviour documented?","What storage lifetime and compatibility evidence exists for the parent in neat form, solution, and other experimentally relevant environments?","Which thermal and photochemical pathways, including any carbon monoxide loss, are demonstrated for the parent rather than inferred from substituted cyclopropenones?","What parent-specific toxicology, GHS classification, exposure limits, and disposal guidance exist, and which handling decisions remain unsupported?"],"resources":{"spec":"/models/things/publications/thing-q21099673/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q21099673/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T08:58:24Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-07T10:10:28+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}