3-cyclopropylquinoline

• ChemBase ID: 248263
• Molecular Formular: C12H11N
• Molecular Mass: 169.22244
• Monoisotopic Mass: 169.08914936
• SMILES: C1(CC1)c1cc2c(nc1)cccc2
• Canonical SMILES: c1ccc2c(c1)cc(cn2)C1CC1
• InChI: InChI=1S/C12H11N/c1-2-4-12-10(3-1)7-11(8-13-12)9-5-6-9/h1-4,7-9H,5-6H2
• InChIKey: MBGNRHWMSLUPQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylquinoline
• IUPAC Traditional name: 3-cyclopropylquinoline
• Synonyms: 3-cyclopropylquinoline

Database IDs

• MDL Number: MFCD18086939
• PubChem SID: 164304173
• PubChem CID: 22131442

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8386574
• LogD (pH = 7.4): 2.9111674
• Log P: 2.9121838
• Molar Refractivity: 52.3679 cm^3
• Polarizability: 21.778605 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.972

Product Information

• Purity: 95%