Cas no 1400744-16-2 ((3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one)

(3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one structure
1400744-16-2 structure
Product Name:(3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one
CAS No:1400744-16-2
MF:C8H14N2O
MW:154.209561824799
MDL:MFCD17016078
CID:2094013
PubChem ID:72207365
Update Time:2025-04-21

(3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one Chemical and Physical Properties

Names and Identifiers

    • (3aR,7aR)-2-Methylhexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
    • (3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one
    • 2-Methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one
    • (3AR,7AR)-2-METHYL-OCTAHYDRO-3H-PYRROLO[3,4-C]PYRIDIN-3-ONE
    • 1400744-16-2
    • AKOS025290825
    • AS-33713
    • CS-0053379
    • MDL: MFCD17016078
    • Inchi: 1S/C8H14N2O/c1-10-5-6-2-3-9-4-7(6)8(10)11/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
    • InChI Key: BVBFTJUIOLVKRS-BQBZGAKWSA-N
    • SMILES: O=C1[C@H]2CNCC[C@H]2CN1C

Computed Properties

  • Exact Mass: 154.110613074g/mol
  • Monoisotopic Mass: 154.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 32.299
  • XLogP3: -0.6

(3aR,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one Pricemore >>

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