Cas no 17012-33-8 (5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone)

5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone structure
17012-33-8 structure
Product Name:5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone
CAS No:17012-33-8
MF:C10H13NO
MW:163.216322660446
CID:1107537
PubChem ID:11819365
Update Time:2025-04-20

5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone Chemical and Physical Properties

Names and Identifiers

    • 5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone
    • DB-306309
    • KTNJFMVVFAGWSQ-UHFFFAOYSA-N
    • 1-Methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
    • 17012-33-8
    • SCHEMBL7265060
    • 2,3,5,6,7,8-hexahydro-1-methyl-3-oxoisoquinoline
    • Inchi： 1S/C10H13NO/c1-7-9-5-3-2-4-8(9)6-10(12)11-7/h6H,2-5H2,1H3,(H,11,12)
    • InChI Key： KTNJFMVVFAGWSQ-UHFFFAOYSA-N
    • SMILES： O=C1C=C2CCCCC2=C(C)N1

Computed Properties

  • Exact Mass: 163.09979
  • Monoisotopic Mass: 163.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 286
  • 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: 1.1
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1

5,6,7,8-tetrahydro-1-methyl-3(2H)-Isoquinolinone Pricemore >>

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