Cas no 22707-38-6 (2-Pyrrolidinone,1-(1-oxobutyl)-)

2-Pyrrolidinone,1-(1-oxobutyl)- structure
22707-38-6 structure
Product Name:2-Pyrrolidinone,1-(1-oxobutyl)-
CAS No:22707-38-6
MF:C8H13NO2
MW:155.194322347641
CID:268555
PubChem ID:242155
Update Time:2025-04-19

2-Pyrrolidinone,1-(1-oxobutyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrrolidinone,1-(1-oxobutyl)-
    • 1-butanoylpyrrolidin-2-one
    • AC1L68W8
    • AC1Q6FAG
    • AR-1C2087
    • CHEMBL156416
    • CTK4E9991
    • NSC50337
    • SureCN9576645
    • DTXSID50287329
    • SCHEMBL9576645
    • 22707-38-6
    • NSC-50337
    • Inchi: 1S/C8H13NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h2-6H2,1H3
    • InChI Key: JTDHUAGBXUTEAW-UHFFFAOYSA-N
    • SMILES: O=C1CCCN1C(CCC)=O

Computed Properties

  • Exact Mass: 155.09469
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 177
  • 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
  • XLogP3: 1.2
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • PSA: 37.38
  • LogP: 0.87340
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