2-ethenylquinoline

• ChemBase ID: 92458
• Molecular Formular: C11H9N
• Molecular Mass: 155.19586
• Monoisotopic Mass: 155.07349929
• SMILES: n1c(ccc2ccccc12)C=C
• Canonical SMILES: C=Cc1ccc2c(n1)cccc2
• InChI: InChI=1S/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2
• InChIKey: XUGNJOCQALIQFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenylquinoline
• IUPAC Traditional name: 2-ethenylquinoline
• Synonyms: 2-Vinylquinoline; 2-Vinylquinoline 97%

Database IDs

• CAS Number: 772-03-2
• MDL Number: MFCD00041861
• PubChem SID: 162079156
• PubChem CID: 69875

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0801094
• LogD (pH = 7.4): 3.1009905
• Log P: 3.1012638
• Molar Refractivity: 49.2185 cm^3
• Polarizability: 20.634161 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%