Cas no 162184-58-9 (1-Azabicyclo[3.2.1]octan-6-one)

1-Azabicyclo[3.2.1]octan-6-one structure
162184-58-9 structure
Product Name:1-Azabicyclo[3.2.1]octan-6-one
CAS No:162184-58-9
MF:C7H11NO
MW:125.168341875076
CID:850881
PubChem ID:418347
Update Time:2024-02-28

1-Azabicyclo[3.2.1]octan-6-one Chemical and Physical Properties

Names and Identifiers

    • 1-Azabicyclo[3.2.1]octan-6-one, (1S,5R)-
    • (1S,5R)-1-AZABICYCLO[3.2.1]OCTAN-6-ONE
    • 1-azabicyclo[3.2.1]octan-6-one
    • 1-Azabicyclo[3.2.1]octan-6-one,(1S,5R)-(9CI)
    • NCIOpen2_002175
    • WFYPDOYHAZFTIR-UHFFFAOYSA-N
    • 1-aza-bicyclo[3.2.1]octan-6-one
    • 1-azabicyclo [3.2.1]octan-6-one
    • (+) 1-azabicyclo[3.2.1]octan-6-one
    • (+/-)1-azabicyclo[3.2.1]octan-6-one
    • (+/-) 1-azabicyclo[3.2.1]octan-6-one
    • (+/-) 1-azabicyclo[3.2.1] octan-6-one
    • 1-Azabicyclo[3.2.1]octan-6-one
    • Inchi: 1S/C7H11NO/c9-7-5-8-3-1-2-6(7)4-8/h6H,1-5H2
    • InChI Key: WFYPDOYHAZFTIR-UHFFFAOYSA-N
    • SMILES: O=C1CN2CCCC1C2

Computed Properties

  • Exact Mass: 125.084
  • Monoisotopic Mass: 125.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 144
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.3
  • XLogP3: 0.3
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