2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 570936
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: C1(=O)C2(CN(C/C(=C/c3occc3)/C)CC2)CCCN1C1CCOCC1
• Canonical SMILES: C/C(=C\c1ccco1)/CN1CCC2(C1)CCCN(C2=O)C1CCOCC1
• InChI: InChI=1S/C21H30N2O3/c1-17(14-19-4-2-11-26-19)15-22-10-8-21(16-22)7-3-9-23(20(21)24)18-5-12-25-13-6-18/h2,4,11,14,18H,3,5-10,12-13,15-16H2,1H3/b17-14+
• InChIKey: NBBISZNRNILRTP-SAPNQHFASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4592197
• LogD (pH = 7.4): 0.13460104
• Log P: 1.7412614
• Molar Refractivity: 102.6806 cm^3
• Polarizability: 39.575436 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.91
• LOG S: -4.3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4