<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307711</id>
  <title nil="true"/>
  <common-name>2-(14-oxodispiro[5.1.58.16]tetradecan-7-ylidene)propanedinitrile</common-name>
  <description>2-(14-oxodispiro[5.1.58.16]tetradecan-7-ylidene)propanedinitrile belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C17H20N2O and an average molecular weight of 268.35 g/mol.</description>
  <cas>73747-72-5</cas>
  <pubchem-id>52389</pubchem-id>
  <chemical-formula>C17H20N2O</chemical-formula>
  <weight>268.35</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">2026-08-29T01:55:43Z</created-at>
  <updated-at type="dateTime">2026-08-29T01:55:43Z</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>C1CCC2(CC1)C(=C(C#N)C#N)C3(C2=O)CCCCC3</moldb-smiles>
  <moldb-formula>C17H20N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C17H20N2O/c18-11-13(12-19)14-16(7-3-1-4-8-16)15(20)17(14)9-5-2-6-10-17/h1-10H2</moldb-inchi>
  <moldb-inchikey>VDVXLSHFEKMQNX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">268.1575633</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM303604</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>2-(14-oxodispiro[5.1.58.16]tetradecan-7-ylidene)propanedinitrile</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" nil="true"/>
  <sync-id>CED0258745</sync-id>
  <structure-inchikey>VDVXLSHFEKMQNX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000001000000000000000000000000000000000000000000000000000000000000020000000000000000000001000000000000000000000000000000000008000000000000000000000000020000020000000000000000008000000000200110000000000000000000000000000020001000000000000000000000800000008000000000000000000000000200000000000000000000000000000000000000000000400000000088200000000000000000000000000000000000000000040000000000000000002000080000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`�������(�������(�������(�������(�������(�������(������� ������(�������(�������`�������`�������`�������`�������`��������������������������(��� �	(��
 
�(��������������������������������B��������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:15:48Z</structure-indexed-at>
</compound>
