Cas no 91487-38-6 (3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4,6-dipropyl-)

3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4,6-dipropyl- structure
91487-38-6 structure
Product Name:3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4,6-dipropyl-
CAS No:91487-38-6
MF:C12H16N2O
MW:204.268242835999
CID:748985
PubChem ID:13299007
Update Time:2025-04-19

3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4,6-dipropyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4,6-dipropyl-
    • 2-oxo-4,6-dipropyl-1H-pyridine-3-carbonitrile
    • SCHEMBL8884786
    • SOVLHWZVNCWUDD-UHFFFAOYSA-N
    • 2-Oxo-4,6-dipropyl-1,2-dihydropyridine-3-carbonitrile
    • 3-cyano-4,6-di-n-propyl-2(1H)-pyridinone
    • 91487-38-6
    • DTXSID50535610
    • Inchi: 1S/C12H16N2O/c1-3-5-9-7-10(6-4-2)14-12(15)11(9)8-13/h7H,3-6H2,1-2H3,(H,14,15)
    • InChI Key: SOVLHWZVNCWUDD-UHFFFAOYSA-N
    • SMILES: O=C1C(C#N)=C(C=C(CCC)N1)CCC

Computed Properties

  • Exact Mass: 204.126263138g/mol
  • Monoisotopic Mass: 204.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 368
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 52.9?2
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