2-(2-oxoazepan-1-yl)acetamide

• ChemBase ID: 186304
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: N1(C(=O)CCCCC1)CC(=O)N
• Canonical SMILES: NC(=O)CN1CCCCCC1=O
• InChI: InChI=1S/C8H14N2O2/c9-7(11)6-10-5-3-1-2-4-8(10)12/h1-6H2,(H2,9,11)
• InChIKey: GINVVVBYRCSQIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxoazepan-1-yl)acetamide
• IUPAC Traditional name: 2-(2-oxoazepan-1-yl)acetamide

Database IDs

• PubChem SID: 164242214
• PubChem CID: 870736

CALCULATED PROPERTIES

• Acid pKa: 16.144615
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7957554
• LogD (pH = 7.4): -0.7957552
• Log P: -0.7957552
• Molar Refractivity: 44.2634 cm^3
• Polarizability: 17.197067 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds