N-[(1R)-cyclohex-3-en-1-yl]acetamide

• ChemBase ID: 290002
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: CC(=O)N[C@H]1CC=CCC1
• Canonical SMILES: CC(=O)N[C@@H]1CCC=CC1
• InChI: InChI=1S/C8H13NO/c1-7(10)9-8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,9,10)/t8-/m0/s1
• InChIKey: DIFALXXSWXJWRN-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-cyclohex-3-en-1-yl]acetamide
• IUPAC Traditional name: N-[(1R)-cyclohex-3-en-1-yl]acetamide
• Synonyms: (R)-N-(Cyclohex-3-en-1-yl)acetamide

Database IDs

• CAS Number: 196703-47-6
• PubChem SID: 180675533
• PubChem CID: 66570652

CALCULATED PROPERTIES

• Acid pKa: 16.17034
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.63073653
• LogD (pH = 7.4): 0.6307366
• Log P: 0.6307366
• Molar Refractivity: 41.4934 cm^3
• Polarizability: 15.701157 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%