7-(2-methoxyethyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 458503
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)c2n(ccc2)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cccn1C
• InChI: InChI=1S/C17H25N3O3/c1-18-8-3-5-14(18)15(21)20-10-7-17(13-20)6-4-9-19(16(17)22)11-12-23-2/h3,5,8H,4,6-7,9-13H2,1-2H3
• InChIKey: OIGWVFDGKODREY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.86
• LOG S: -2.1
• Polar Surface Area: 54.78 Å^2
• Rotatable Bonds: 4

JChem

• H Donor: 0
• LogD (pH = 5.5): 0.39973274
• LogD (pH = 7.4): 0.39973307
• Log P: 0.39973307
• Molar Refractivity: 88.1192 cm^3
• Polarizability: 33.36691 Å^3
• Polar Surface Area: 54.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3