7-methyl-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 576860
• Molecular Formular: C14H24N2O
• Molecular Mass: 236.35316
• Monoisotopic Mass: 236.1888634
• SMILES: C12(C(=O)N(CCC2)C)CN(C/C(=C/C)/C)CC1
• Canonical SMILES: C/C=C(/CN1CCC2(C1)CCCN(C2=O)C)\C
• InChI: InChI=1S/C14H24N2O/c1-4-12(2)10-16-9-7-14(11-16)6-5-8-15(3)13(14)17/h4H,5-11H2,1-3H3/b12-4+
• InChIKey: JGGXYSGOTQHFTC-UUILKARUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.948649
• LogD (pH = 7.4): -0.97502804
• Log P: 1.5033246
• Molar Refractivity: 71.7192 cm^3
• Polarizability: 27.55402 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.8
• LOG S: -1.01
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2