(3E)-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpent-3-enamide

• ChemBase ID: 326839
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: N1(C(=O)CC(C1)CN(C(=O)C/C=C/C)C)C1CCCC1
• Canonical SMILES: C/C=C/CC(=O)N(CC1CC(=O)N(C1)C1CCCC1)C
• InChI: InChI=1S/C16H26N2O2/c1-3-4-9-15(19)17(2)11-13-10-16(20)18(12-13)14-7-5-6-8-14/h3-4,13-14H,5-12H2,1-2H3/b4-3+
• InChIKey: VYKFBMGADMDQQW-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpent-3-enamide
• IUPAC Traditional name: (3E)-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpent-3-enamide
• Synonyms: (3E)-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpent-3-enamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1320115
• LogD (pH = 7.4): 1.132012
• Log P: 1.132012
• Molar Refractivity: 80.8128 cm^3
• Polarizability: 30.916952 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.5
• LOG S: -2.51
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5