ethyl 3-[6-(cyclopentyloxy)pyridin-3-yl]prop-2-enoate

• ChemBase ID: 297435
• Molecular Formular: C15H19NO3
• Molecular Mass: 261.31626
• Monoisotopic Mass: 261.13649347
• SMILES: CCOC(=O)/C=C/c1ccc(nc1)OC1CCCC1
• Canonical SMILES: CCOC(=O)/C=C/c1ccc(nc1)OC1CCCC1
• InChI: InChI=1S/C15H19NO3/c1-2-18-15(17)10-8-12-7-9-14(16-11-12)19-13-5-3-4-6-13/h7-11,13H,2-6H2,1H3
• InChIKey: WJQIAUDLEBBKBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[6-(cyclopentyloxy)pyridin-3-yl]prop-2-enoate
• IUPAC Traditional name: ethyl 3-[6-(cyclopentyloxy)pyridin-3-yl]prop-2-enoate
• Synonyms: 3-(6-Cyclopentyloxy-3-pyridyl)acrylic acid ethyl ester; Ethyl 3-(6-cyclopentyloxy-3-pyridyl)acrylate; 3-(6-环戊氧基-3-吡啶基)丙烯酸乙酯

Database IDs

• MDL Number: MFCD08062606
• PubChem SID: 180682966
• PubChem CID: 42553154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.445495
• LogD (pH = 7.4): 3.4459317
• Log P: 3.4459374
• Molar Refractivity: 73.6106 cm^3
• Polarizability: 28.391989 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否