5-methyl-2-phenylindolizine

• ChemBase ID: 76948
• Molecular Formular: C15H13N
• Molecular Mass: 207.27042
• Monoisotopic Mass: 207.10479942
• SMILES: n12c(cccc1cc(c2)c1ccccc1)C
• Canonical SMILES: Cc1cccc2n1cc(c2)c1ccccc1
• InChI: InChI=1S/C15H13N/c1-12-6-5-9-15-10-14(11-16(12)15)13-7-3-2-4-8-13/h2-11H,1H3
• InChIKey: INOVZESTRNGOLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-phenylindolizine
• IUPAC Traditional name: 5-methyl-2-phenylindolizine
• Synonyms: 5-Methyl-2-phenylindolizine

Database IDs

• CAS Number: 36944-99-7
• MDL Number: MFCD00229316
• PubChem SID: 162041847
• PubChem CID: 610180

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4565465
• LogD (pH = 7.4): 3.4565465
• Log P: 3.4565465
• Molar Refractivity: 68.4266 cm^3
• Polarizability: 27.808813 Å^3
• Polar Surface Area: 4.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant