2-ethyl-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 652521
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)C3)CC)CC2)c([nH]cc1)C
• Canonical SMILES: CCN1CC2(CC1=O)CCN(CC2)C(=O)c1cc[nH]c1C
• InChI: InChI=1S/C16H23N3O2/c1-3-18-11-16(10-14(18)20)5-8-19(9-6-16)15(21)13-4-7-17-12(13)2/h4,7,17H,3,5-6,8-11H2,1-2H3
• InChIKey: LVUPMRRSNGPRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-ethyl-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-ethyl-8-[(2-methyl-1H-pyrrol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.022333
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.34746596
• LogD (pH = 7.4): 0.3474663
• Log P: 0.34746632
• Molar Refractivity: 82.148 cm^3
• Polarizability: 30.81767 Å^3
• Polar Surface Area: 56.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: -0.07
• LOG S: -2.56
• Polar Surface Area: 56.41 Å^2
• Rotatable Bonds: 2