cyclopent-1-ene-1-carboxamide

• ChemBase ID: 238540
• Molecular Formular: C6H9NO
• Molecular Mass: 111.14176
• Monoisotopic Mass: 111.06841391
• SMILES: C(=O)(C1=CCCC1)N
• Canonical SMILES: NC(=O)C1=CCCC1
• InChI: InChI=1S/C6H9NO/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H2,7,8)
• InChIKey: DSLSPCZKJILYBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-1-ene-1-carboxamide
• IUPAC Traditional name: cyclopent-1-ene-1-carboxamide
• Synonyms: cyclopent-1-ene-1-carboxamide

Database IDs

• MDL Number: MFCD19203678
• PubChem SID: 164294450
• PubChem CID: 225568

CALCULATED PROPERTIES

• Acid pKa: 16.587288
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.48894393
• LogD (pH = 7.4): 0.4890318
• Log P: 0.48903292
• Molar Refractivity: 31.943 cm^3
• Polarizability: 12.020745 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): 0.334

Product Information

• Purity: 95%