2-cyano-2-[(1Z)-cyclopentylidene]acetamide

• ChemBase ID: 254357
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=C1CCCC1)(C(=O)N)C#N
• Canonical SMILES: N#CC(=C1CCCC1)C(=O)N
• InChI: InChI=1S/C8H10N2O/c9-5-7(8(10)11)6-3-1-2-4-6/h1-4H2,(H2,10,11)
• InChIKey: PRUZHIRVXUSGBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyano-2-[(1Z)-cyclopentylidene]acetamide
• IUPAC Traditional name: 2-cyano-2-[(1Z)-cyclopentylidene]acetamide
• Synonyms: 2-cyano-2-cyclopentylideneacetamide

Database IDs

• MDL Number: MFCD01923140
• PubChem SID: 164310267
• PubChem CID: 263642

CALCULATED PROPERTIES

• Acid pKa: 10.09185
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5932783
• LogD (pH = 7.4): 0.5940562
• Log P: 0.593271
• Molar Refractivity: 41.5225 cm^3
• Polarizability: 15.55848 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.447

Product Information

• Purity: 95%