Cas no 919802-91-8 (1,5-Diazabicyclo[3.1.0]hexan-2-one)

1,5-Diazabicyclo[3.1.0]hexan-2-one structure
919802-91-8 structure
Product Name:1,5-Diazabicyclo[3.1.0]hexan-2-one
CAS No:919802-91-8
MF:C4H6N2O
MW:98.1032404899597
CID:760576
PubChem ID:71424668
Update Time:2025-04-19

1,5-Diazabicyclo[3.1.0]hexan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1,5-Diazabicyclo[3.1.0]hexan-2-one
    • 919802-91-8
    • DTXSID70843461
    • Inchi: 1S/C4H6N2O/c7-4-1-2-5-3-6(4)5/h1-3H2
    • InChI Key: YOAOOKZGMQHSJO-UHFFFAOYSA-N
    • SMILES: O=C1CCN2CN21

Computed Properties

  • Exact Mass: 98.048012819g/mol
  • Monoisotopic Mass: 98.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 123
  • 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: -0.5
  • Topological Polar Surface Area: 23.1?2
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