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<compound>
  <id type="integer">1056</id>
  <title>T3D1052</title>
  <common-name>Nitromethylidenecyclohexane</common-name>
  <description>Nitromethylidenecyclohexane is an exogenous organic compound with the formula C7H11NO2 and an average molecular weight of 141.17 g/mol. It exists as a solid at room temperature. Nitromethylidenecyclohexane belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds.

This compound acts as a neurotransmitter mimic with both excitatory and depressant effects, eventually blocking postsynaptic nicotinic receptors. It has five recorded protein targets, including the acetylcholine receptor subunit beta (CHRNB1), neuronal acetylcholine receptor subunit alpha-3 (CHRNA3), neuronal acetylcholine receptor subunit alpha-4 (CHRNA4), and neuronal acetylcholine receptor subunit beta-2 (CHRNB2), as well as one other protein.</description>
  <cas>27861-39-8</cas>
  <pubchem-id>293636</pubchem-id>
  <chemical-formula>C7H11NO2</chemical-formula>
  <weight>141.078980</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity> Acts as a neurotransmitter mimic , having both excitatory and depressant effects, eventually blocking postsynaptic nicotinic receptors. (T10)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Nitromethylenes are used as pesticides. (T10)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Nitromethylenes are neurotoxic. (T10)</health-effects>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-06-18T21:54:32Z</created-at>
  <updated-at type="dateTime">2026-08-23T18:18:25Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id>CPD-8232</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Nitromethylidenecyclohexane</stitch-id>
  <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>[O-][N+](=O)C=C1CCCCC1</moldb-smiles>
  <moldb-formula>C7H11NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H11NO2/c9-8(10)6-7-4-2-1-3-5-7/h6H,1-5H2</moldb-inchi>
  <moldb-inchikey>JVQOIOZEAYCROA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">141.1677</moldb-average-mass>
  <moldb-mono-mass type="decimal">141.078978601</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>2.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>259184</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000909</chemdb-id>
  <dsstox-id>DTXSID10897105</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075392</susdat-id>
  <iupac>nitromethylidenecyclohexane</iupac>
  <moldb-polar-surface-area>45.82</moldb-polar-surface-area>
  <moldb-refractivity>38.2361</moldb-refractivity>
  <moldb-polarizability>14.498016980304829</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-9.287454724573308</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.77</moldb-alogps-logp>
  <moldb-alogps-logs>-2.09</moldb-alogps-logs>
  <moldb-alogps-solubility>1.14e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic 1,3-dipolar compounds</superklass>
  <klass>Allyl-type 1,3-dipolar organic compounds</klass>
  <subklass>Organic nitro compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0086332</sync-id>
  <structure-inchikey>JVQOIOZEAYCROA-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T03:59:59Z</structure-indexed-at>
</compound>
