121325 <common-name>4-Acetyl-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid</common-name> <description>4-Acetyl-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C12H15NO3 and an average molecular weight of 221.26 g/mol. This compound is further classified as an organic oxygen compound and an organooxygen compound.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C12H15NO3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T03:52:17Z</created-at> <updated-at type="dateTime">2026-04-06T03:52:17Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(=O)C1=C(C)N(C2CC2)C(C)=C1C(O)=O</moldb-smiles> <moldb-formula>C12H15NO3</moldb-formula> <moldb-inchi>InChI=1S/C12H15NO3/c1-6-10(8(3)14)11(12(15)16)7(2)13(6)9-4-5-9/h9H,4-5H2,1-3H3,(H,15,16)</moldb-inchi> <moldb-inchikey>JSEIYOKZAHNTFI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">221.256</moldb-average-mass> <moldb-mono-mass type="decimal">221.1051933</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM117218</chemdb-id> <dsstox-id>DTXSID10381559</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00097959</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0183786</sync-id> <structure-inchikey>JSEIYOKZAHNTFI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000000000000000000020000000000004000000000000000080200000000000000000000000000000200000000000000020000000000000000000000000000000000000010000000000000000000000000000020100001000000000000000500000000040000000000000400000000000000000000000000000008000000800000000000004000000000000080000000000000000000020000000000000000000000000000000000000000000000000000000000000002000000000020000000000000800000000000000000000020400000000000000000000000000000002</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBkAoAAAAAwQGQCgAAAADBAYAYAAAAAEDB0AoAAAAAwMGAGAA AAADAQYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAYAYAAAAAEDBkAoAAAAAwQG ACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCCwABAAECKAIBAyADBGgMBAUABAZo DAYHAAcIAAgJAAYKaAwKCwAKDGgMDA0gDQ4gDQ8oAgwDaAwJBwBCAgAAAAUD BAYKDAMIBwkXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:53Z</structure-indexed-at> </compound>