ethyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Basic information
- CAS
371933-91-4- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C)c1C(C)=O- InChIKey
CGXTZIHEGVDREP-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
Names & identifiers
- Preferred name
- ethyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
- English name
- 1H-Pyrrole-3-carboxylicacid,4-acetyl-2,5-dimethyl-,ethylester(9CI)
- Molecular formula
- C11H15NO3
- Molecular weight
- 0
Names & synonyms
371933-91-4ethyl 4-acetyl-2,5-dimethyl-1H-pyrrole-3-carboxylateCGXTZIHEGVDREP-UHFFFAOYSA-N1H-Pyrrole-3-carboxylicacid,4-acetyl-2,5-dimethyl-,ethylester(9CI)
Database identifiers
- CAS
371933-91-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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