Cas no 62084-30-4 (Pyrido[1,2-a]azepin-9(6H)-one, octahydro-)

Pyrido[1,2-a]azepin-9(6H)-one, octahydro- structure
62084-30-4 structure
Product Name:Pyrido[1,2-a]azepin-9(6H)-one, octahydro-
CAS No:62084-30-4
MF:C10H17NO
MW:167.248082876205
CID:458769
PubChem ID:12341690
Update Time:2025-04-19

Pyrido[1,2-a]azepin-9(6H)-one, octahydro- Chemical and Physical Properties

Names and Identifiers

    • Pyrido[1,2-a]azepin-9(6H)-one, octahydro-
    • 1-azabicyclo[5.4.0]undecan-5-one
    • 2,3,4,6,7,8,10,10a-octahydro-1H-pyrido[1,2-a]azepin-9-one
    • 62084-30-4
    • DTXSID30492050
    • octahydropyrido[1,2-a]azepin-9(6h)-one
    • SCHEMBL863645
    • Inchi: 1S/C10H17NO/c12-10-5-3-7-11-6-2-1-4-9(11)8-10/h9H,1-8H2
    • InChI Key: UEDKJTIVKXPUEO-UHFFFAOYSA-N
    • SMILES: O=C1CCCN2CCCCC2C1

Computed Properties

  • Exact Mass: 167.13111
  • Monoisotopic Mass: 167.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 179
  • 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
  • XLogP3: 1
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • PSA: 20.31

Pyrido[1,2-a]azepin-9(6H)-one, octahydro- Related Literature

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