Cas no 955363-90-3 (6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-one)

6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-one structure
955363-90-3 structure
Product Name:6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CAS No:955363-90-3
MF:C7H11NO
MW:125.1683
CID:5081648
PubChem ID:24872021
Update Time:2024-03-04

6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-one Chemical and Physical Properties

Names and Identifiers

    • 6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-one
    • SB47737
    • Inchi: 1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)
    • InChI Key: NOEANOXILSYOIN-UHFFFAOYSA-N
    • SMILES: O=C1C2([H])C([H])(C([H])([H])N1[H])C2(C([H])([H])[H])C([H])([H])[H]

Computed Properties

  • Exact Mass: 125.084063974g/mol
  • Monoisotopic Mass: 125.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 174
  • 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: 0.5
  • Topological Polar Surface Area: 29.1
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