9-(oxan-2-ylmethyl)-2-(prop-2-en-1-yl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 863497
• Molecular Formular: C18H30N2O2
• Molecular Mass: 306.443
• Monoisotopic Mass: 306.23072821
• SMILES: N1(C(=O)CCC2(C1)CCN(CC1OCCCC1)CC2)CC=C
• Canonical SMILES: C=CCN1CC2(CCN(CC2)CC2CCCCO2)CCC1=O
• InChI: InChI=1S/C18H30N2O2/c1-2-10-20-15-18(7-6-17(20)21)8-11-19(12-9-18)14-16-5-3-4-13-22-16/h2,16H,1,3-15H2
• InChIKey: LZSDEAWIDMEERJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(oxan-2-ylmethyl)-2-(prop-2-en-1-yl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(oxan-2-ylmethyl)-2-(prop-2-en-1-yl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-allyl-9-(tetrahydro-2H-pyran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6073285
• LogD (pH = 7.4): -0.099777155
• Log P: 1.6691203
• Molar Refractivity: 89.1686 cm^3
• Polarizability: 34.88037 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.92
• LOG S: -3.08
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4