N-cyclopentylprop-2-enamide

• ChemBase ID: 271265
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: C(=O)(NC1CCCC1)C=C
• Canonical SMILES: C=CC(=O)NC1CCCC1
• InChI: InChI=1S/C8H13NO/c1-2-8(10)9-7-5-3-4-6-7/h2,7H,1,3-6H2,(H,9,10)
• InChIKey: HFFGHFQYPISROY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentylprop-2-enamide
• IUPAC Traditional name: N-cyclopentylprop-2-enamide
• Synonyms: N-cyclopentylprop-2-enamide

Database IDs

• MDL Number: MFCD12091063
• PubChem SID: 164327175
• PubChem CID: 23352986

CALCULATED PROPERTIES

• Acid pKa: 16.166506
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3042426
• LogD (pH = 7.4): 1.3043809
• Log P: 1.3043826
• Molar Refractivity: 40.4235 cm^3
• Polarizability: 15.701157 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.889

Product Information

• Purity: 95%