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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:26 UTC
Update Date2025-03-21 18:34:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101564
Frequency26.9
Structure
Chemical FormulaC12H14N2
Molecular Mass186.1157
SMILESCN1CCCC1c1ccc(C#N)cc1
InChI KeyBOHGLKDJFUAJPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • benzonitriles
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • nitriles
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • aralkylamine
  • benzonitrile
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • carbonitrile
  • tertiary amine