2-cyclopropanecarbonyl-7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 572813
• Molecular Formular: C21H28N2O
• Molecular Mass: 324.45982
• Monoisotopic Mass: 324.22016353
• SMILES: N1(C(=O)C2CC2)CC2(CN(Cc3cc(C=C)ccc3)CCC2)CC1
• Canonical SMILES: C=Cc1cccc(c1)CN1CCCC2(C1)CCN(C2)C(=O)C1CC1
• InChI: InChI=1S/C21H28N2O/c1-2-17-5-3-6-18(13-17)14-22-11-4-9-21(15-22)10-12-23(16-21)20(24)19-7-8-19/h2-3,5-6,13,19H,1,4,7-12,14-16H2
• InChIKey: FCQVDBRIEXVOJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropanecarbonyl-7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-cyclopropanecarbonyl-7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(cyclopropylcarbonyl)-7-(3-vinylbenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.0516707
• LogD (pH = 7.4): 1.6840278
• Log P: 3.2058175
• Molar Refractivity: 98.739 cm^3
• Polarizability: 38.35307 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: 2.76
• LOG S: -3.92
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4