Cas no 690200-04-5 (1-Azabicyclo[2.2.2]octane-3-carboxamide,N-methyl-(9CI))

1-Azabicyclo[2.2.2]octane-3-carboxamide,N-methyl-(9CI) structure
690200-04-5 structure
Product Name:1-Azabicyclo[2.2.2]octane-3-carboxamide,N-methyl-(9CI)
CAS No:690200-04-5
MF:C9H16N2O
MW:168.236142158508
CID:853143
Update Time:2022-07-26

1-Azabicyclo[2.2.2]octane-3-carboxamide,N-methyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Azabicyclo[2.2.2]octane-3-carboxamide,N-methyl-(9CI)
    • N-methyl-1-azabicyclo[2.2.2]octane-3-carboxamide
    • Inchi: 1S/C9H16N2O/c1-10-9(12)8-6-11-4-2-7(8)3-5-11/h7-8H,2-6H2,1H3,(H,10,12)
    • InChI Key: SVQFDXJUXZUBJS-UHFFFAOYSA-N
    • SMILES: N12CCC(CC1)C(C(NC)=O)C2

Computed Properties

  • Exact Mass: 168.126
  • Monoisotopic Mass: 168.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 32.3A^2
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