321486 <common-name>3-(3'-aminospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3h-2-benzofuran-1-one</common-name> <description>3-(3'-aminospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3h-2-benzofuran-1-one is a chemical compound with the formula C20H19NO4. It has an average molecular weight of 337.40 g/mol.</description> <cas>64179-21-1</cas> <pubchem-id>3048948</pubchem-id> <chemical-formula>C20H19NO4</chemical-formula> <weight>337.4</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">2026-08-29T20:59:29Z</created-at> <updated-at type="dateTime">2026-08-29T20:59:29Z</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>C1CC(CC2(C1)OC3=C(O2)C=C(C=C3)C4C5=CC=CC=C5C(=O)O4)N</moldb-smiles> <moldb-formula>C20H19NO4</moldb-formula> <moldb-inchi>InChI=1S/C20H19NO4/c21-13-4-3-9-20(11-13)24-16-8-7-12(10-17(16)25-20)18-14-5-1-2-6-15(14)19(22)23-18/h1-2,5-8,10,13,18H,3-4,9,11,21H2</moldb-inchi> <moldb-inchikey>MCDDDYAUFJFRJF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">337.1314081</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM317379</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-(3'-aminospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3h-2-benzofuran-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>Organoheterocyclic compounds</superklass> <klass>Benzofurans</klass> <subklass>Benzofuranones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272207</sync-id> <structure-inchikey>MCDDDYAUFJFRJF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2008000000800010000000000000000000000000000000000000000004000000000000000000000000002080000100000000000000000200000000000000000080000000000010000000000002000000000000008000000010181000060800000190000000848000000020100000010000800000000000000120000000000c000000000000080000000000000000000000000002000000000001001000000000000000000004000000000040000000000000000200080000000010000000c00000000040000000400000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAHQAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAgIGACAAAAAEBgBgAAAAAgIIACgAAAADAgZAKAAA AAMEBkAoAAAAAwQIACgAAAADAgZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBgBgAAAAAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBgAoAAAAAwQIACgAAAADAggAKAAA AAMCBwBgAAAAAQILAAEAAQIAAgMAAwQABAUABAYABgcgBwhoDAgJIAgKaAwK C2gMCwxoDAwNaAwLDgAODwAPEGgMEBFoDBESaAwSE2gMExRoDBQVIBUWKAIV FyACGAAFAAAJBAANB2gMFw4AFA9oDEIFAAAABgAFBAMCAQUGBAkIBwYKCwwN BwgGEBESExQPBRUUDw4XFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:18Z</structure-indexed-at> </compound>