Ethyl 5-ethyl-2-methyl-4-phenylpyrrole-3-carboxylate
Basic information
- CAS
95838-62-3- Standard SMILES
CCOC(=O)c1c(C)[nH]c(CC)c1-c1ccccc1- InChIKey
XPPPUXYOQHTNBI-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- Ethyl 5-ethyl-2-methyl-4-phenylpyrrole-3-carboxylate
- IUPAC
- ethyl 5-ethyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate
- English name
- 1H-Pyrrole-3-carboxylicacid,5-ethyl-2-methyl-4-phenyl-,ethylester(9CI)
- Molecular formula
- C16H19NO2
- Molecular weight
- 0
Names & synonyms
AKOS024359562ST50989098ethyl 5-ethyl-2-methyl-4-phenylpyrrole-3-carboxylate5-Ethyl-2-methyl-4-phenyl-3-pyrrolcarbonsaeure-ethylester1H-Pyrrole-3-carboxylicacid,5-ethyl-2-methyl-4-phenyl-,ethylester(9CI)
Database identifiers
- CAS
95838-62-3- PubChem CID
- 5064362
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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