Cas no 58467-27-9 (3-ethyl-2,5-Pyrrolidinedione)

3-ethyl-2,5-Pyrrolidinedione structure
3-ethyl-2,5-Pyrrolidinedione structure
Product Name:3-ethyl-2,5-Pyrrolidinedione
CAS No:58467-27-9
MF:C6H9NO2
MW:127.141161680222
CID:341978
PubChem ID:12648191
Update Time:2025-04-19

3-ethyl-2,5-Pyrrolidinedione Chemical and Physical Properties

Names and Identifiers

    • 3-ethyl-2,5-Pyrrolidinedione
    • 2,5-Pyrrolidinedione, 3-ethyl-
    • 3-ethylpyrrolidine-2,5-dione
    • 3-ethyl succinimide
    • SCHEMBL1818235
    • 58467-27-9
    • Athylsuccinimid
    • DTXSID80505624
    • BHYLCQRRNWUVHE-UHFFFAOYSA-N
    • Inchi: 1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)
    • InChI Key: BHYLCQRRNWUVHE-UHFFFAOYSA-N
    • SMILES: O=C1C(CC)CC(N1)=O

Computed Properties

  • Exact Mass: 127.06337
  • Monoisotopic Mass: 127.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Tautomer Count: 8
  • Surface Charge: 0
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • PSA: 46.17
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