8-(but-3-en-1-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 500005
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(CC2)CCC=C)C
• Canonical SMILES: C=CCCN1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C19H26N2O/c1-3-4-12-21-13-10-19(11-14-21)15-17(18(22)20(19)2)16-8-6-5-7-9-16/h3,5-9,17H,1,4,10-15H2,2H3
• InChIKey: UOIODPJJQLATLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(but-3-en-1-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(but-3-en-1-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(3-buten-1-yl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0502993
• LogD (pH = 7.4): 0.34543929
• Log P: 2.291343
• Molar Refractivity: 91.0825 cm^3
• Polarizability: 35.325783 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.63
• LOG S: -4.48
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4