100876 <common-name>3-(1-Pyrrolidinyl)propane-1,2-diol</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>174452</pubchem-id> <chemical-formula>C7H15NO2</chemical-formula> <weight>145.2</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">2026-04-05T08:07:08Z</created-at> <updated-at type="dateTime">2026-08-23T22:10:41Z</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>OCC(O)CN1CCCC1</moldb-smiles> <moldb-formula>C7H15NO2</moldb-formula> <moldb-inchi>InChI=1/C7H15NO2/c9-6-7(10)5-8-3-1-2-4-8/h7,9-10H,1-6H2</moldb-inchi> <moldb-inchikey>MFPZRSWYUKWRIQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">145.202</moldb-average-mass> <moldb-mono-mass type="decimal">145.1102787</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.6</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>CHEM096769</chemdb-id> <dsstox-id>DTXSID601005855</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00064003</susdat-id> <iupac>3-pyrrolidin-1-ylpropane-1,2-diol</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>Pyrrolidines</klass> <subklass>N-alkylpyrrolidines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0077199</sync-id> <structure-inchikey>MFPZRSWYUKWRIQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000002100000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000020100000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000008040400000000000000000000000000000001000000000000000000000000000000000000000010000000000000000000000000000000020000000000000400002000000000200</structure-fingerprint> <structure-pattern-fingerprint>202000000000000002000000000080404000000200040000000044004004000800000000001000080000004200001000c00010000443000a0000080110000001000000000000000620000000000004001000200000420000001000c2000000000020020000000502000002000801001002004111800200010000240400000044000000800000008080000100400024400000000000800000000040043000000004000000008000024201002c00000000008000801000000000a00001000040400000000800000000000000000000000004020000000040800000000000802000000000000000000000004000000100240800c0000010050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`�������`�������`�������`������� ������`�������`�������`�������`������������������������������� � ��B��������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:32Z</structure-indexed-at> </compound>