4-(1H-imidazole-1-carbonyl)morpholine

• ChemBase ID: 239375
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: n1(C(=O)N2CCOCC2)cncc1
• Canonical SMILES: O=C(n1cncc1)N1CCOCC1
• InChI: InChI=1S/C8H11N3O2/c12-8(11-2-1-9-7-11)10-3-5-13-6-4-10/h1-2,7H,3-6H2
• InChIKey: WCRWCPGYKYDSJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazole-1-carbonyl)morpholine
• IUPAC Traditional name: 4-(imidazole-1-carbonyl)morpholine
• Synonyms: 4-(1H-imidazole-1-carbonyl)morpholine

Database IDs

• MDL Number: MFCD00585304
• PubChem SID: 164295285
• PubChem CID: 5230546

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.930685
• LogD (pH = 7.4): -0.93011624
• Log P: -0.93010896
• Molar Refractivity: 45.8277 cm^3
• Polarizability: 17.564306 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.498

Product Information

• Purity: 95%