N-(6-methylhept-5-en-2-yl)formamide

• ChemBase ID: 184226
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C(=O)NC(CCC=C(C)C)C
• Canonical SMILES: O=CNC(CCC=C(C)C)C
• InChI: InChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)10-7-11/h5,7,9H,4,6H2,1-3H3,(H,10,11)
• InChIKey: TUPAKKVAUOIZNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylhept-5-en-2-yl)formamide
• IUPAC Traditional name: N-(6-methylhept-5-en-2-yl)formamide

Database IDs

• PubChem SID: 164240136
• PubChem CID: 3614685

CALCULATED PROPERTIES

• Acid pKa: 16.719917
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6557392
• LogD (pH = 7.4): 1.65574
• Log P: 1.65574
• Molar Refractivity: 47.7651 cm^3
• Polarizability: 18.274961 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds