• 
  [Synonyms]
  NSC81348
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	268.3568 [g/mol]
  Molecular Formula	C16H20N4
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	4
  Exact Mass	268.168797
  MonoIsotopic Mass	268.168797
  Topological Polar Surface Area	79.2
  Heavy Atom Count	20
  Formal Charge	0
  Complexity	289
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	2
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 3-(1H-pyrrol-2-yl)butanenitrile; 3-(1H-pyrrol-3-yl)butanenitrile
  Canonical SMILES: CC(CC#N)C1=CNC=C1.CC(CC#N)C1=CC=CN1
  InChI: InChI=1/2C8H10N2/c1-7(2-4-9)8-3-5-10-6-8;1-7(4-5-9)8-3-2-6-10-8/h3,5-7,
  10H,2H2,1H3;2-3,6-7,10H,4H2,1H3