46062 <common-name>3-acetyl-1-phenyl-pyrrolidine-2,4-dione</common-name> <description>3-acetyl-1-phenyl-pyrrolidine-2,4-dione belongs to the phenylpyrrolidines, a subclass of pyrrolidines within the organic compounds. This organoheterocyclic compound has the chemical formula C12H11NO3 and an average molecular weight of 217.22 g/mol. In industrial applications, it is utilized as a stabilizing agent.</description> <cas>719-86-8</cas> <pubchem-id>15088156</pubchem-id> <chemical-formula>C12H11NO3</chemical-formula> <weight>217.22</weight> <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">2016-06-03T12:43:05Z</created-at> <updated-at type="dateTime">2026-08-18T16:09:38Z</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)C1C(=O)CN(C1=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H11NO3</moldb-formula> <moldb-inchi>InChI=1S/C12H11NO3/c1-8(14)11-10(15)7-13(12(11)16)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3</moldb-inchi> <moldb-inchikey>QBKVVMUXEOBMLS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">217.224</moldb-average-mass> <moldb-mono-mass type="decimal">217.073893218</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13020219</chemspider-id> <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>CHEM044957</chemdb-id> <dsstox-id>DTXSID70568021</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007021</stoff-ident-id> <susdat-id>NS00009266</susdat-id> <iupac>3-acetyl-1-phenylpyrrolidine-2,4-dione</iupac> <moldb-polar-surface-area>54.45</moldb-polar-surface-area> <moldb-refractivity>57.215800000000016</moldb-refractivity> <moldb-polarizability>21.79015690459483</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>6.6379222965354945</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.478937075791421</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>0.86</moldb-alogps-logp> <moldb-alogps-logs>-1.70</moldb-alogps-logs> <moldb-alogps-solubility>4.33e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyrrolidines</klass> <subklass>Phenylpyrrolidines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0184201</sync-id> <structure-inchikey>QBKVVMUXEOBMLS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000080000000000000000000000000000000000800000000000000000000000000000000000020000000000000200004000000000000000000000000000000000000000000000000000000000000200020000000001000000000000000000000000040010000000000000000000000000000020100000000000000000000500000004040000000800000000000000000000004000100000000000000000000000000000000000000000000080000000000000000004000000000000000000000000000000000000000000000000000000000000100000000000200001000000000000040000400000040000000000400000020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������(�������`�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@h�������������������������������� � (�� �h���h�� h� �h���h����� h�B������������� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:11Z</structure-indexed-at> </compound>