5-methylmorpholin-3-one

• ChemBase ID: 308242
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: N1C(=O)COCC1C
• Canonical SMILES: CC1COCC(=O)N1
• InChI: InChI=1S/C5H9NO2/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
• InChIKey: WWPWUBHXXRVWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylmorpholin-3-one
• IUPAC Traditional name: 5-methylmorpholin-3-one
• Synonyms: 5-methyl-3-morpholinone

Database IDs

• CAS Number: 65922-85-2
• MDL Number: MFCD07781030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.73568374
• LogD (pH = 7.4): -0.73568547
• Log P: -0.73568374
• Molar Refractivity: 28.2658 cm^3
• Polarizability: 11.166473 Å^3
• Polar Surface Area: 38.33 Å^2