4-(cyclobutylamino)-1-cycloheptylpyrrolidin-2-one

• ChemBase ID: 499207
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: N1(C(=O)CC(C1)NC1CCC1)C1CCCCCC1
• Canonical SMILES: O=C1CC(CN1C1CCCCCC1)NC1CCC1
• InChI: InChI=1S/C15H26N2O/c18-15-10-13(16-12-6-5-7-12)11-17(15)14-8-3-1-2-4-9-14/h12-14,16H,1-11H2
• InChIKey: VVOUTXFFNSSFLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclobutylamino)-1-cycloheptylpyrrolidin-2-one
• IUPAC Traditional name: 4-(cyclobutylamino)-1-cycloheptylpyrrolidin-2-one
• Synonyms: 4-(cyclobutylamino)-1-cycloheptyl-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.91456854
• LogD (pH = 7.4): 0.3869591
• Log P: 2.2047417
• Molar Refractivity: 72.2216 cm^3
• Polarizability: 28.905312 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.48
• LOG S: -1.93
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3