indolizine

• ChemBase ID: 127825
• Molecular Formular: C8H7N
• Molecular Mass: 117.14788
• Monoisotopic Mass: 117.05784923
• SMILES: c1ccc2ccccn12
• Canonical SMILES: c1ccc2n(c1)ccc2
• InChI: InChI=1S/C8H7N/c1-2-6-9-7-3-5-8(9)4-1/h1-7H
• InChIKey: HOBCFUWDNJPFHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: indolizine
• IUPAC Traditional name: indolizine
• Synonyms: Pyrrocoline; Indolizin; Pyrrolo[1,2-a]pyridine; Indolizine

Database IDs

• CAS Number: 274-40-8
• PubChem SID: 162222143
• PubChem CID: 9230
• CHEBI ID: 35583
• Chemspider ID: 8875
• Wikipedia Title: Indolizine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6097598
• LogD (pH = 7.4): 1.6097598
• Log P: 1.6097598
• Molar Refractivity: 38.1407 cm^3
• Polarizability: 14.927718 Å^3
• Polar Surface Area: 4.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true