Cas no 55407-71-1 (2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo-)

2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo- structure
55407-71-1 structure
Product Name:2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo-
CAS No:55407-71-1
MF:C10H10N2O
MW:174.199202060699
CID:352000
PubChem ID:12212212
Update Time:2025-04-19

2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo- Chemical and Physical Properties

Names and Identifiers

    • 2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo-
    • 55407-71-1
    • Z2732523959
    • EN300-7492126
    • 3-hydroxy-1-methyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
    • SCHEMBL22289639
    • 1-Methyl-3-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
    • SCHEMBL9846227
    • Inchi： 1S/C10H10N2O/c1-6-7-3-2-4-8(7)9(5-11)10(13)12-6/h2-4H2,1H3,(H,12,13)
    • InChI Key： KPKMQKOATGLSHP-UHFFFAOYSA-N
    • SMILES： O=C1C(C#N)=C2CCCC2=C(C)N1

Computed Properties

  • Exact Mass: 174.0794
  • Monoisotopic Mass: 174.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 392
  • 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: 0.4
  • Topological Polar Surface Area: 52.9?2

Experimental Properties

  • PSA: 52.89

2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo- Pricemore >>

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