2-(propan-2-yl)-1-[2-(pyrrolidin-1-yl)benzoyl]-2,5-dihydro-1H-pyrrole

• ChemBase ID: 569551
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: C(=O)(N1C(C=CC1)C(C)C)c1c(N2CCCC2)cccc1
• Canonical SMILES: CC(C1C=CCN1C(=O)c1ccccc1N1CCCC1)C
• InChI: InChI=1S/C18H24N2O/c1-14(2)16-10-7-13-20(16)18(21)15-8-3-4-9-17(15)19-11-5-6-12-19/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3
• InChIKey: VPPZKAMVHFEOLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-1-[2-(pyrrolidin-1-yl)benzoyl]-2,5-dihydro-1H-pyrrole
• IUPAC Traditional name: 2-isopropyl-1-[2-(pyrrolidin-1-yl)benzoyl]-2,5-dihydropyrrole
• Synonyms: 2-isopropyl-1-(2-pyrrolidin-1-ylbenzoyl)-2,5-dihydro-1H-pyrrole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4443746
• LogD (pH = 7.4): 3.4448347
• Log P: 3.4448404
• Molar Refractivity: 88.6634 cm^3
• Polarizability: 32.864388 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.51
• LOG S: -4.28
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3