3-(2,5-dimethylfuran-3-yl)morpholine

• ChemBase ID: 276885
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(oc(c1)C)C)C1NCCOC1
• Canonical SMILES: Cc1oc(cc1C1COCCN1)C
• InChI: InChI=1S/C10H15NO2/c1-7-5-9(8(2)13-7)10-6-12-4-3-11-10/h5,10-11H,3-4,6H2,1-2H3
• InChIKey: XNMIRIXXANCWKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethylfuran-3-yl)morpholine
• IUPAC Traditional name: 3-(2,5-dimethylfuran-3-yl)morpholine
• Synonyms: 3-(2,5-dimethylfuran-3-yl)morpholine

Database IDs

• MDL Number: MFCD18699985
• PubChem SID: 164332795
• PubChem CID: 54594404

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8518511
• LogD (pH = 7.4): 0.67101246
• Log P: 0.9122294
• Molar Refractivity: 50.8635 cm^3
• Polarizability: 19.577642 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.274

Product Information

• Purity: 95%