2-methylindolizine-6-carbonyl chloride

• ChemBase ID: 90987
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: n12c(cc(c1)C)ccc(c2)C(=O)Cl
• Canonical SMILES: Cc1cn2c(c1)ccc(c2)C(=O)Cl
• InChI: InChI=1S/C10H8ClNO/c1-7-4-9-3-2-8(10(11)13)6-12(9)5-7/h2-6H,1H3
• InChIKey: PLQHVEKMVRKVMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylindolizine-6-carbonyl chloride
• IUPAC Traditional name: 2-methylindolizine-6-carbonyl chloride
• Synonyms: 2-Methylindolizine-6-carbonyl chloride 97%

Database IDs

• MDL Number: MFCD08056328
• PubChem SID: 162077691
• PubChem CID: 26967362

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3140938
• LogD (pH = 7.4): 2.3140938
• Log P: 2.3140938
• Molar Refractivity: 54.2966 cm^3
• Polarizability: 20.358072 Å^3
• Polar Surface Area: 21.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true