Cas no 58804-57-2 (2-Pyrrolidinone, 1-cyclohexyl-5-(2-oxopropyl)-)

2-Pyrrolidinone, 1-cyclohexyl-5-(2-oxopropyl)- structure
58804-57-2 structure
Product Name:2-Pyrrolidinone, 1-cyclohexyl-5-(2-oxopropyl)-
CAS No:58804-57-2
MF:C13H21NO2
MW:223.31134390831
CID:340830
PubChem ID:13156581
Update Time:2025-04-19

2-Pyrrolidinone, 1-cyclohexyl-5-(2-oxopropyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrrolidinone, 1-cyclohexyl-5-(2-oxopropyl)-
    • 1-cyclohexyl-5-(2-oxopropyl)pyrrolidin-2-one
    • DTXSID20522916
    • 58804-57-2
    • Inchi: 1S/C13H21NO2/c1-10(15)9-12-7-8-13(16)14(12)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3
    • InChI Key: VPTVTMCMGIHCME-UHFFFAOYSA-N
    • SMILES: O=C1CCC(CC(C)=O)N1C1CCCCC1

Computed Properties

  • Exact Mass: 223.15733
  • Monoisotopic Mass: 223.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 282
  • 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: 1.3
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • PSA: 37.38
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