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

• ChemBase ID: 450138
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: C12(C(=O)N(CCC2)CCC)CN(C(=O)c2n(ccc2)C)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cccn1C
• InChI: InChI=1S/C17H25N3O2/c1-3-9-19-11-5-7-17(16(19)22)8-12-20(13-17)15(21)14-6-4-10-18(14)2/h4,6,10H,3,5,7-9,11-13H2,1-2H3
• InChIKey: BBJNBXGGYQISSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3260382
• LogD (pH = 7.4): 1.326039
• Log P: 1.326039
• Molar Refractivity: 86.3483 cm^3
• Polarizability: 32.65158 Å^3
• Polar Surface Area: 45.55 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 0
• Log P: 0.19
• LOG S: -2.88
• Polar Surface Area: 45.55 Å^2