<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">282941</id>
  <title nil="true"/>
  <common-name>3'-oxospiro[cyclopropane-1,2'-indole]-1'-carbaldehyde</common-name>
  <description>3'-oxospiro[cyclopropane-1,2'-indole]-1'-carbaldehyde belongs to the indoles and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C11H9NO2 and an average molecular weight of 187.19 g/mol.</description>
  <cas>64053-82-3</cas>
  <pubchem-id>3048858</pubchem-id>
  <chemical-formula>C11H9NO2</chemical-formula>
  <weight>187.19</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">2026-08-27T18:29:52Z</created-at>
  <updated-at type="dateTime">2026-08-27T18:29:52Z</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>C1CC12C(=O)C3=CC=CC=C3N2C=O</moldb-smiles>
  <moldb-formula>C11H9NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H9NO2/c13-7-12-9-4-2-1-3-8(9)10(14)11(12)5-6-11/h1-4,7H,5-6H2</moldb-inchi>
  <moldb-inchikey>LYGPYMPCPHMGPE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">187.0633285</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM278834</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'-oxospiro[cyclopropane-1,2'-indole]-1'-carbaldehyde</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>Indoles and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0234867</sync-id>
  <structure-inchikey>LYGPYMPCPHMGPE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000010000000000000000000000000000000000000000000000000020000000008000000001000000000000000000000000000000000000000000000000008000000000000020000000000200000000000802000000000000000200000000000000000000000000020100000000000080000800000000000008400000800000000000080000200000000100000000000000000000000180000000000000000000080000000000000000000000000000000000000000000000020000000000000000010000000000000000000000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������h��������(�����������������(��� ��h���h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:57:38Z</structure-indexed-at>
</compound>
