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

• ChemBase ID: 851588
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: c1(n(C2CC2)ccc1)C(=O)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cccn1C1CC1
• InChI: InChI=1S/C19H27N3O3/c1-25-13-12-20-9-3-7-19(18(20)24)8-11-21(14-19)17(23)16-4-2-10-22(16)15-5-6-15/h2,4,10,15H,3,5-9,11-14H2,1H3
• InChIKey: YIDDZRZSVGDSLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8652972
• LogD (pH = 7.4): 0.8652976
• Log P: 0.8652976
• Molar Refractivity: 95.3304 cm^3
• Polarizability: 36.316765 Å^3
• Polar Surface Area: 54.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.6
• LOG S: -2.52
• Polar Surface Area: 54.78 Å^2
• Rotatable Bonds: 5