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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:27:49 UTC
Update Date2025-03-24 17:49:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00981275
Frequency1.4
Structure
Chemical FormulaC7H12N2
Molecular Mass124.1
SMILESCc1ccc(CN)n1C
InChI KeyKMUHAJOXPNPERW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound