5-(propan-2-yl)morpholin-3-one

• ChemBase ID: 801627
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1(=O)COCC(N1)C(C)C
• Canonical SMILES: CC(C1COCC(=O)N1)C
• InChI: InChI=1S/C7H13NO2/c1-5(2)6-3-10-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
• InChIKey: DGOLJYXTOMTIEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)morpholin-3-one
• IUPAC Traditional name: 5-isopropylmorpholin-3-one
• Synonyms: 5-(PROPAN-2-YL)MORPHOLIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 12.720304
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15181148
• LogD (pH = 7.4): 0.15180966
• Log P: 0.1518115
• Molar Refractivity: 37.2614 cm^3
• Polarizability: 14.820513 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%