morpholin-2-one

• ChemBase ID: 801235
• Molecular Formular: C4H7NO2
• Molecular Mass: 101.10388
• Monoisotopic Mass: 101.04767847
• SMILES: C1C(=O)OCCN1
• Canonical SMILES: O=C1CNCCO1
• InChI: InChI=1S/C4H7NO2/c6-4-3-5-1-2-7-4/h5H,1-3H2
• InChIKey: ZQHJAAMMKABEBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholin-2-one
• IUPAC Traditional name: morpholin-2-one
• Synonyms: MORPHOLIN-2-ONE

Database IDs

• CAS Number: 4441-15-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.92315334
• LogD (pH = 7.4): -0.7433756
• Log P: -0.7405261
• Molar Refractivity: 23.5781 cm^3
• Polarizability: 9.7096 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%