97237 <common-name>1-(2-Hydroxy-2-phenylethyl)pyrrolidine-2,5-dione</common-name> <description>1-(2-Hydroxy-2-phenylethyl)pyrrolidine-2,5-dione belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C12H13NO3 and an average molecular weight of 219.24 g/mol.</description> <cas>68239-22-5</cas> <pubchem-id>109249</pubchem-id> <chemical-formula>C12H13NO3</chemical-formula> <weight>219.24</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">2026-04-05T05:10:32Z</created-at> <updated-at type="dateTime">2026-08-18T17:22:12Z</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>OC(CN1C(=O)CCC1=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H13NO3</moldb-formula> <moldb-inchi>InChI=1/C12H13NO3/c14-10(9-4-2-1-3-5-9)8-13-11(15)6-7-12(13)16/h1-5,10,14H,6-8H2</moldb-inchi> <moldb-inchikey>HSSJOOBLHQOTFM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.24</moldb-average-mass> <moldb-mono-mass type="decimal">219.0895433</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0</logp> <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>CHEM093130</chemdb-id> <dsstox-id>DTXSID50887303</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059518</susdat-id> <iupac>1-(2-hydroxy-2-phenylethyl)pyrrolidine-2,5-dione</iupac> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0172287</sync-id> <structure-inchikey>HSSJOOBLHQOTFM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000100000000100000000000020000000000000000004000008000000000000000000000000000000000000000000080000000000000020000000000000000000000000000000000002010000000000000000000000000000020100000000000000000000000000000000000000800000000200000000000000000100001000000000000000000000000000200000202400080000000000000000000000000000000000000000000000000400000000000000000000000000000000000000200200000000000000000000000000000040000000000020000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABCABgAAAAAQEGAGAAAAAD AQYAYAAAAAICBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGAGAA AAACAgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAwADBCAEBSgC BAYABgcABwgACAkoAgEKAAoLaAwLDGgMDA1oDA0OaAwOD2gMCAMgDwpoDEIC AAAABQQDCAcGBgsMDQ4PChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:29Z</structure-indexed-at> </compound>