59935 <common-name>4'-Methyl-alpha-pyrrolidinopropiophenone</common-name> <description>4'-Methyl-alpha-pyrrolidinoprophenone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C14H19N1O1 and an average molecular weight of 217.31 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound.</description> <cas>28117-80-8</cas> <pubchem-id>6430745</pubchem-id> <chemical-formula>C14H19N1O1</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">2026-03-25T19:16:10Z</created-at> <updated-at type="dateTime">2026-03-25T19:16:10Z</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(N1CCCC1)C(=O)C1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C14H19N1O1</moldb-formula> <moldb-inchi>InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3</moldb-inchi> <moldb-inchikey>APSJUNFBAXIXLK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">217.312</moldb-average-mass> <moldb-mono-mass type="decimal">217.146664</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4936084</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>CHEM055828</chemdb-id> <dsstox-id>DTXSID80891438</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000053</susdat-id> <iupac>1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">36</paper-count> <sync-id>CED0025545</sync-id> <structure-inchikey>APSJUNFBAXIXLK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000001000000000001000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000020000000000000080000080000000000000000010000000010000000000000010000020100000000000000000000000800000040000000000000000000000000000000000000000000000000004000008000000000000000000000084000000000000000000000008000000000000000004000000000000000000000000000000000004000002000000200000000000000000100000000000040000000000480000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAD AQcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAKAAA AAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BgBgAAAAAQMGQGgAAAADAwEGQGgAAAADAwELAAEAAQIAAgMAAwQABAUABQYA AQcABwgoAgcJIAkKaAwKC2gMCwxoDAwNAAwOaAwOD2gMBgIADwloDEICAAAA BQMCBgUEBgoLDA4PCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:04Z</structure-indexed-at> </compound>