8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

• ChemBase ID: 508146
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)CCn1c(ncc1)C
• Canonical SMILES: O=C1CC2(CCCC2)CC(=O)N1CCn1ccnc1C
• InChI: InChI=1S/C15H21N3O2/c1-12-16-6-7-17(12)8-9-18-13(19)10-15(11-14(18)20)4-2-3-5-15/h6-7H,2-5,8-11H2,1H3
• InChIKey: RFFSWCWBWCPSGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
• IUPAC Traditional name: 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
• Synonyms: 8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.29443258
• LogD (pH = 7.4): 0.47593942
• Log P: 0.7172425
• Molar Refractivity: 74.5838 cm^3
• Polarizability: 29.005896 Å^3
• Polar Surface Area: 55.2 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: 1.83
• LOG S: -2.77
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3