Cas no 180971-97-5 (2H-Pyrrol-2-one,1-acetyl-3-butyl-1,5-dihydro-)

2H-Pyrrol-2-one,1-acetyl-3-butyl-1,5-dihydro- structure
180971-97-5 structure
Product Name:2H-Pyrrol-2-one,1-acetyl-3-butyl-1,5-dihydro-
CAS No:180971-97-5
MF:C10H15NO2
MW:181.231602907181
CID:113574
PubChem ID:45120211
Update Time:2025-04-18

2H-Pyrrol-2-one,1-acetyl-3-butyl-1,5-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyrrol-2-one,1-acetyl-3-butyl-1,5-dihydro-
    • 2H-Pyrrol-2-one, 1-acetyl-3-butyl-1,5-dihydro-
    • 180971-97-5
    • 1-Acetyl-3-butyl-1H-pyrrol-2(5H)-one
    • Inchi: 1S/C10H15NO2/c1-3-4-5-9-6-7-11(8(2)12)10(9)13/h6H,3-5,7H2,1-2H3
    • InChI Key: KKMCBXLDGGUTTM-UHFFFAOYSA-N
    • SMILES: O=C1C(=CCN1C(C)=O)CCCC

Computed Properties

  • Exact Mass: 181.11035
  • Monoisotopic Mass: 181.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 256
  • 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
  • Topological Polar Surface Area: 37.4A^2
  • XLogP3: 1.5

Experimental Properties

  • PSA: 37.38
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