Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate
Basic information
- CAS
78052-52-5- Standard SMILES
CCOC(=O)c1cc(NC(C)=O)c(C)n1C- InChIKey
WUYPTXIKBIEUPB-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-acetamido-1,5-dimethylpyrrole-2-carboxylate
Names & synonyms
78052-52-5DTXSID70318265Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylateRefChem:343806DTXCID10269388NSC328042ethyl 4-acetamido-1,5-dimethyl-pyrrole-2-carboxylateNSC-328042DS-011047Ethyl 4-(acetylamino)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
78052-52-5- PubChem CID
- 332145
- DTXSID
DTXSID70318265
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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