Cas no 33061-01-7 (3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione)

3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione structure
33061-01-7 structure
Product Name:3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione
CAS No:33061-01-7
MF:C10H15NO3
MW:197.231003046036
CID:1110960
PubChem ID:104833
Update Time:2025-04-20

3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione Chemical and Physical Properties

Names and Identifiers

    • 3-acetyl-5-(1-methylpropyl)-2,4-Pyrrolidinedione
    • 3-acetyl-5-butan-2-ylpyrrolidine-2,4-dione
    • 2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-
    • 2,4-Pyrrolidinedione, 3-acetyl-5-sec-butyl-
    • DTXSID70954682
    • 4-Acetyl-2-(butan-2-yl)-5-hydroxy-2,4-dihydro-3H-pyrrol-3-one
    • 33061-01-7
    • Inchi: 1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,7-8H,4H2,1-3H3,(H,11,14)
    • InChI Key: KLBSRSYHIIAQTG-UHFFFAOYSA-N
    • SMILES: O=C1C(C(C)=O)C(NC1C(C)CC)=O

Computed Properties

  • Exact Mass: 197.10525
  • Monoisotopic Mass: 197.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 63.2?2

Experimental Properties

  • PSA: 63.24
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