1-(4-Ethyl-3,5-Dimethyl-1H-Pyrrol-2-Yl)-Ethanone
[CAS# 1500-91-0]

Identification

• Name: 1-(4-Ethyl-3,5-Dimethyl-1H-Pyrrol-2-Yl)-Ethanone
• Synonyms: 2-Acetyl-3,5-Dimethyl-4-Ethyl-Pyrrole; 4-Ethyl-3,5-Dimethylpyrrol-2-Yl Methyl Ketone; 5-21-07-00264 (Beilstein Handbook Reference)
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.23
• CAS Registry Number: 1500-91-0
• SMILES: C(C)C1=C([NH]C(=C1C)C(=O)C)C
• InChI: 1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3
• InChIKey: SUAXMKRXTCGJJD-UHFFFAOYSA-N

Properties

• Density: 1.003g/cm³ (Cal.)
• Boiling point: 288.342°C at 760 mmHg (Cal.)
• Flash point: 135.838°C (Cal.)

References

• (1): M. O. Senge and K. M. Smith. Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole, Acta Cryst. (2005). C61, o537-o541