2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 701198
• Molecular Formular: C16H22N2O2
• Molecular Mass: 274.35808
• Monoisotopic Mass: 274.16812795
• SMILES: C12(C(=O)NCCC2)CN(C/C(=C/c2occc2)/C)CC1
• Canonical SMILES: C/C(=C\c1ccco1)/CN1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C16H22N2O2/c1-13(10-14-4-2-9-20-14)11-18-8-6-16(12-18)5-3-7-17-15(16)19/h2,4,9-10H,3,5-8,11-12H2,1H3,(H,17,19)/b13-10+
• InChIKey: ZKDDNSNGFNVBSN-JLHYYAGUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.09162
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6667922
• LogD (pH = 7.4): -0.09526981
• Log P: 1.5563991
• Molar Refractivity: 79.3084 cm^3
• Polarizability: 30.401846 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -2.65
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3