Cas no 50838-22-7 (1-(1-Oxobut-2-enyl)piperidine)

1-(1-Oxobut-2-enyl)piperidine structure
1-(1-Oxobut-2-enyl)piperidine structure
Product Name:1-(1-Oxobut-2-enyl)piperidine
CAS No:50838-22-7
MF:C9H15NO
MW:153.221502542496
CID:2710194
PubChem ID:5372413
Update Time:2025-04-21

1-(1-Oxobut-2-enyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • (E)-1-piperidin-1-ylbut-2-en-1-one
    • 1-[(2E)-2-Butenoyl]piperidine #
    • Piperidine, 1-(1-oxo-2-butenyl)-, (E)-
    • 3626-69-5
    • Piperidine, 1-crotonoyl-
    • SCHEMBL10177866
    • Piperidine, 1-(1-oxo-2-butenyl)-
    • 1-(1-Oxobut-2-enyl)piperidine
    • 50838-22-7
    • N-Crotonylpiperidine
    • Piperidine,1-(1-oxo-2-butenyl)-,(E)
    • crotonic acid piperidide
    • EINECS 222-841-4
    • Inchi: 1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6H,3-5,7-8H2,1H3/b6-2+
    • InChI Key: DEHSTVNSEJEWPR-QHHAFSJGSA-N
    • SMILES: O=C(/C=C/C)N1CCCCC1

Computed Properties

  • Exact Mass: 153.115364102Da
  • Monoisotopic Mass: 153.115364102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 157
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 20.3?2
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