Cas no 58937-88-5 (2-Azabicyclo[3.3.1]nonan-7-one)

2-Azabicyclo[3.3.1]nonan-7-one structure
58937-88-5 structure
Product Name:2-Azabicyclo[3.3.1]nonan-7-one
CAS No:58937-88-5
MF:C8H13NO
MW:139.194922208786
CID:340405
PubChem ID:21634577
Update Time:2025-04-19

2-Azabicyclo[3.3.1]nonan-7-one Chemical and Physical Properties

Names and Identifiers

    • 2-Azabicyclo[3.3.1]nonan-7-one
    • 6-azabicyclo[3.3.1]nonan-3-one
    • DTXSID90616513
    • 58937-88-5
    • AKOS006355158
    • Inchi： 1S/C8H13NO/c10-8-4-6-1-2-9-7(3-6)5-8/h6-7,9H,1-5H2
    • InChI Key： UAVCLXBCZCAQSB-UHFFFAOYSA-N
    • SMILES： O=C1CC2CC(C1)CCN2

Computed Properties

  • Exact Mass: 139.09979
  • Monoisotopic Mass: 139.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1

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