7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 782393
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: C12(C(=O)N(CCC2)CCO)CN(C(=O)C=C(C)C)CC1
• Canonical SMILES: OCCN1CCCC2(C1=O)CCN(C2)C(=O)C=C(C)C
• InChI: InChI=1S/C15H24N2O3/c1-12(2)10-13(19)17-7-5-15(11-17)4-3-6-16(8-9-18)14(15)20/h10,18H,3-9,11H2,1-2H3
• InChIKey: DLAYFZKHRLOEGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-hydroxyethyl)-2-(3-methyl-2-butenoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.574232
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.06515882
• LogD (pH = 7.4): 0.06516009
• Log P: 0.0651601
• Molar Refractivity: 77.7677 cm^3
• Polarizability: 29.716547 Å^3
• Polar Surface Area: 60.85 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: 0.12
• LOG S: -2.66
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 3