ethyl (2E)-2-cyano-3-(morpholin-4-yl)prop-2-enoate

• ChemBase ID: 816140
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=O)(OCC)/C(=C/N1CCOCC1)/C#N
• Canonical SMILES: CCOC(=O)/C(=C/N1CCOCC1)/C#N
• InChI: InChI=1S/C10H14N2O3/c1-2-15-10(13)9(7-11)8-12-3-5-14-6-4-12/h8H,2-6H2,1H3/b9-8+
• InChIKey: JEUHJKUDMBBWLQ-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2E)-2-cyano-3-(morpholin-4-yl)prop-2-enoate
• IUPAC Traditional name: ethyl (2E)-2-cyano-3-(morpholin-4-yl)prop-2-enoate
• Synonyms: (E)-2-CYANO-3-MORPHOLIN-4-YL-ACRYLIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.45037577
• LogD (pH = 7.4): 0.45037577
• Log P: 0.45037577
• Molar Refractivity: 54.6417 cm^3
• Polarizability: 20.68129 Å^3
• Polar Surface Area: 62.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%