N-[2-(cyclohex-1-en-1-yl)ethyl]formamide

• ChemBase ID: 83522
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: O=CNCCC1=CCCCC1
• Canonical SMILES: O=CNCCC1=CCCCC1
• InChI: InChI=1S/C9H15NO/c11-8-10-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,10,11)
• InChIKey: XWTNNDMADIECSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohex-1-en-1-yl)ethyl]formamide
• IUPAC Traditional name: N-[2-(cyclohex-1-en-1-yl)ethyl]formamide
• Synonyms: N-(2-cyclohex-1-enylethyl)formamide

Database IDs

• MDL Number: MFCD00831248
• PubChem SID: 162070639
• PubChem CID: 2780443

CALCULATED PROPERTIES

• Acid pKa: 16.592985
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2200072
• LogD (pH = 7.4): 1.2200078
• Log P: 1.2200078
• Molar Refractivity: 46.1451 cm^3
• Polarizability: 17.543316 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true