Cas no 114601-41-1 (4-(5-oxopyrrolidin-3-yl)pyrrolidin-2-one)

4-(5-oxopyrrolidin-3-yl)pyrrolidin-2-one structure
114601-41-1 structure
Product Name:4-(5-oxopyrrolidin-3-yl)pyrrolidin-2-one
CAS No:114601-41-1
MF:C8H12N2O2
MW:168.193081855774
CID:2613146
PubChem ID:71338455
Update Time:2025-04-21

4-(5-oxopyrrolidin-3-yl)pyrrolidin-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-(5-oxopyrrolidin-3-yl)pyrrolidin-2-one
    • [3,3'-Bipyrrolidine]-5,5'-dione
    • DTXSID60766034
    • 114601-41-1
    • Inchi: 1S/C8H12N2O2/c11-7-1-5(3-9-7)6-2-8(12)10-4-6/h5-6H,1-4H2,(H,9,11)(H,10,12)
    • InChI Key: UZDUDQBSVXFKME-UHFFFAOYSA-N
    • SMILES: O=C1CC(CN1)C1CC(NC1)=O

Computed Properties

  • Exact Mass: 168.089877630Da
  • Monoisotopic Mass: 168.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 58.2?2
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