7-[2-(pyridin-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 573348
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: N1(C(=O)CCC2(C1)COCC2)CCc1ncccc1
• Canonical SMILES: O=C1CCC2(CN1CCc1ccccn1)COCC2
• InChI: InChI=1S/C15H20N2O2/c18-14-4-6-15(7-10-19-12-15)11-17(14)9-5-13-3-1-2-8-16-13/h1-3,8H,4-7,9-12H2
• InChIKey: RBBYGTWPYJFUFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(pyridin-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-[2-(pyridin-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-(2-pyridin-2-ylethyl)-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5017439
• LogD (pH = 7.4): 0.54513246
• Log P: 0.5457169
• Molar Refractivity: 72.0525 cm^3
• Polarizability: 28.28873 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.52
• LOG S: -0.98
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3