<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1066</id>
  <title>T3D1062</title>
  <common-name>(2E)-1-Methyl-2-(nitromethylidene)pyrrolidine</common-name>
  <description>(2E)-1-Methyl-2-(nitromethylidene)pyrrolidine belongs to the n-alkylpyrrolidines, a subclass of pyrrolidines within the organic compounds. This exogenous organoheterocyclic compound has the formula C6H10N2O2 and an average molecular weight of 142.16 g/mol. At room temperature, it exists as a solid.

The compound acts as a neurotransmitter mimic with both excitatory and depressant effects, eventually blocking postsynaptic nicotinic receptors. It has five recorded protein targets: Acetylcholine receptor subunit beta (CHRNB1), Neuronal acetylcholine receptor subunit alpha-3 (CHRNA3), Neuronal acetylcholine receptor subunit alpha-4 (CHRNA4), Neuronal acetylcholine receptor subunit beta-2 (CHRNB2), and one other protein.</description>
  <cas>94662-64-3</cas>
  <pubchem-id>1714740</pubchem-id>
  <chemical-formula>C6H10N2O2</chemical-formula>
  <weight>142.074230</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <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></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <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></min-risk-level>
  <health-effects>Nitromethylenes are neurotoxic. (T10)</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2009-06-18T21:54:32Z</created-at>
  <updated-at type="dateTime">2026-04-06T10:32:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>(2E)-1-Methyl-2-(nitromethylidene)pyrrolidine</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN1CCC\C1=C/[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C6H10N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C6H10N2O2/c1-7-4-2-3-6(7)5-8(9)10/h5H,2-4H2,1H3/b6-5+</moldb-inchi>
  <moldb-inchikey>BJFPEODODUCJLP-AATRIKPKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">142.1558</moldb-average-mass>
  <moldb-mono-mass type="decimal">142.074227574</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>1363415</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>CHEM000919</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00120409</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>49.06</moldb-polar-surface-area>
  <moldb-refractivity>38.5958</moldb-refractivity>
  <moldb-polarizability>14.079269775042414</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>4.653629676725241</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>-0.07</moldb-alogps-logp>
  <moldb-alogps-logs>-0.60</moldb-alogps-logs>
  <moldb-alogps-solubility>3.59e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyrrolidines</klass>
  <subklass>N-alkylpyrrolidines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0091053</sync-id>
  <structure-inchikey>BJFPEODODUCJLP-AATRIKPKSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T03:59:59Z</structure-indexed-at>
</compound>
