2,5,5,7-tetramethyl-5,6-dihydroindolizin-6-one

• ChemBase ID: 305256
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: n12c(C=C(C(=O)C1(C)C)C)cc(c2)C
• Canonical SMILES: Cc1cn2c(c1)C=C(C(=O)C2(C)C)C
• InChI: InChI=1S/C12H15NO/c1-8-5-10-6-9(2)11(14)12(3,4)13(10)7-8/h5-7H,1-4H3
• InChIKey: HJXZAMIEKAPBTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,5,7-tetramethyl-5,6-dihydroindolizin-6-one
• IUPAC Traditional name: 2,5,5,7-tetramethylindolizin-6-one
• Synonyms: Tetraacetonamine C

Database IDs

• CAS Number: N

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.301104
• LogD (pH = 7.4): 3.301104
• Log P: 3.301104
• Molar Refractivity: 58.1904 cm^3
• Polarizability: 21.867085 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow powder