4-cyclopropylmorpholine-2-carbonitrile

• ChemBase ID: 272992
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: N1(C2CC2)CC(C#N)OCC1
• Canonical SMILES: N#CC1OCCN(C1)C1CC1
• InChI: InChI=1S/C8H12N2O/c9-5-8-6-10(3-4-11-8)7-1-2-7/h7-8H,1-4,6H2
• InChIKey: XMWCJDCVLUPWEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropylmorpholine-2-carbonitrile
• IUPAC Traditional name: 4-cyclopropylmorpholine-2-carbonitrile
• Synonyms: 4-cyclopropylmorpholine-2-carbonitrile

Database IDs

• MDL Number: MFCD20441509
• PubChem SID: 164328902
• PubChem CID: 54592712

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.09469083
• LogD (pH = 7.4): 0.1838581
• Log P: 0.18512201
• Molar Refractivity: 41.083 cm^3
• Polarizability: 16.078245 Å^3
• Polar Surface Area: 36.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.099

Product Information

• Purity: 95%