4-[5-(pyridin-3-yl)furan-2-carbonyl]morpholine

• ChemBase ID: 642072
• Molecular Formular: C14H14N2O3
• Molecular Mass: 258.27256
• Monoisotopic Mass: 258.10044232
• SMILES: c1(oc(cc1)c1cnccc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1ccc(o1)c1cccnc1)N1CCOCC1
• InChI: InChI=1S/C14H14N2O3/c17-14(16-6-8-18-9-7-16)13-4-3-12(19-13)11-2-1-5-15-10-11/h1-5,10H,6-9H2
• InChIKey: YRYMNPDSUDIOOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(pyridin-3-yl)furan-2-carbonyl]morpholine
• IUPAC Traditional name: 4-[5-(pyridin-3-yl)furan-2-carbonyl]morpholine
• Synonyms: 4-(5-pyridin-3-yl-2-furoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.44569388
• LogD (pH = 7.4): 0.46232134
• Log P: 0.46253848
• Molar Refractivity: 69.252 cm^3
• Polarizability: 27.421356 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.63
• LOG S: -1.62
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 2