1-ethenylpiperidin-2-one

• ChemBase ID: 179525
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: C1(=O)CCCCN1C=C
• Canonical SMILES: C=CN1CCCCC1=O
• InChI: InChI=1S/C7H11NO/c1-2-8-6-4-3-5-7(8)9/h2H,1,3-6H2
• InChIKey: PBGPBHYPCGDFEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenylpiperidin-2-one
• IUPAC Traditional name: 1-ethenylpiperidin-2-one
• Synonyms: 1-Vinyl-2-piperidinone; 1-Vinyl-2-piperidone; 1-Ethenyl-2-piperidinone; N-Vinyl-δ-valerolactam; N-Vinylpiperidone; N-Vinyl-2-piperidone

Database IDs

• CAS Number: 4370-23-4
• PubChem SID: 164235435
• PubChem CID: 10129953

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5933098
• LogD (pH = 7.4): 0.5933098
• Log P: 0.5933098
• Molar Refractivity: 35.4478 cm^3
• Polarizability: 13.860147 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - V454500

A monomer in the production of lactam-thermoresponsive and biocompatible poylmers. It is used in the study of inhibitors of clathrate hydrate formation.

REFERENCES

• Ieong, N.S. et al.: Macromol., 44, 886 (2011)
• Gomez Gualdron, D.A. et al.: Indust. Eng. Chem. Res., 46, 131 (2011)