1-Acetyl-2-Isobutyl-2,5-Dihydro-1H-Pyrrole-2-Carboxylic Acid
[CAS# 203051-17-6]

Identification

• Name: 1-Acetyl-2-Isobutyl-2,5-Dihydro-1H-Pyrrole-2-Carboxylic Acid
• Synonyms: 1-acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid; 1H-PYRROLE-2-CARBOXYLICACID, 1-ACETYL-2,5-DIHYDRO-2-(2-METHYLPROPYL)-; NCGC00092173-01
• Molecular Formula: C₁₁H₁₇NO₃
• Molecular Weight: 211.26
• CAS Registry Number: 203051-17-6
• SMILES: O=C(O)C1(/C=C\CN1C(=O)C)CC(C)C
• InChI: 1S/C11H17NO3/c1-8(2)7-11(10(14)15)5-4-6-12(11)9(3)13/h4-5,8H,6-7H2,1-3H3,(H,14,15)
• InChIKey: YEWQYDGLACKHHN-UHFFFAOYSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 375.16°C at 760 mmHg (Cal.)
• Flash point: 180.691°C (Cal.)
• Refractive index: 1.507 (Cal.)