1-cyclopentyl-4-[3-(pyridin-2-yl)azetidine-1-carbonyl]pyrrolidin-2-one

• ChemBase ID: 775762
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: N1(C(=O)C2CN(C(=O)C2)C2CCCC2)CC(C1)c1ncccc1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)N1CC(C1)c1ccccn1
• InChI: InChI=1S/C18H23N3O2/c22-17-9-13(12-21(17)15-5-1-2-6-15)18(23)20-10-14(11-20)16-7-3-4-8-19-16/h3-4,7-8,13-15H,1-2,5-6,9-12H2
• InChIKey: QUNWWHFUEVQBPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-[3-(pyridin-2-yl)azetidine-1-carbonyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopentyl-4-[3-(pyridin-2-yl)azetidine-1-carbonyl]pyrrolidin-2-one
• Synonyms: 1-cyclopentyl-4-{[3-(2-pyridinyl)-1-azetidinyl]carbonyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5909332
• LogD (pH = 7.4): 0.6234753
• Log P: 0.6239076
• Molar Refractivity: 85.9901 cm^3
• Polarizability: 33.606663 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.48
• LOG S: -0.59
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3