Cas no 81359-40-2 (3,4-dihydro-1-methyl-Pyrido[2,1-a]isoindol-6(2H)-one)

3,4-dihydro-1-methyl-Pyrido[2,1-a]isoindol-6(2H)-one structure
81359-40-2 structure
Product Name:3,4-dihydro-1-methyl-Pyrido[2,1-a]isoindol-6(2H)-one
CAS No:81359-40-2
MF:C13H13NO
MW:199.248423337936
CID:704097
PubChem ID:12913468
Update Time:2025-04-19

3,4-dihydro-1-methyl-Pyrido[2,1-a]isoindol-6(2H)-one Chemical and Physical Properties

Names and Identifiers

    • 3,4-dihydro-1-methyl-Pyrido[2,1-a]isoindol-6(2H)-one
    • 1-methyl-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-one
    • Pyrido[2,1-a]isoindol-6(2H)-one, 3,4-dihydro-1-methyl-
    • 81359-40-2
    • 1-Methyl-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one
    • SCHEMBL12202091
    • DTXSID70512802
    • Inchi: 1S/C13H13NO/c1-9-5-4-8-14-12(9)10-6-2-3-7-11(10)13(14)15/h2-3,6-7H,4-5,8H2,1H3
    • InChI Key: ZPZFTQSLGMOGLP-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C2=C(C)CCCN21

Computed Properties

  • Exact Mass: 199.099714038g/mol
  • Monoisotopic Mass: 199.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 331
  • 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: 1.8
  • Topological Polar Surface Area: 20.3?2
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