Basic information
- Standard SMILES
CCOC(=O)/C=C/c1ccc(C(=O)OCC)[nH]1- InChIKey
AAJYCHBLTARBTA-SOFGYWHQSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 5-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-, ethyl ester
- IUPAC
- ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1H-pyrrole-2-carboxylate
Names & synonyms
436159-80-71H-Pyrrole-2-carboxylic acid, 5-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-, ethyl esterMLS003106901NSC177989SCHEMBL3595574CHEMBL4296994AAJYCHBLTARBTA-SOFGYWHQSA-NNSC-177989F81772ethyl 5-[(E)-2-ethoxycarbonylvinyl]-1H-pyrrole-2-carboxyateethyl 5-[(E)-2-ethoxycarbonylvinyl]-1H-pyrrole-2-carboxylateEthyl 5-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-1H-pyrrole-2-carboxylate
Show more names
ETHYL (E)-5-(3-ETHOXY-3-OXOPROP-1-EN-1-YL)-1H-PYRROLE-2-CARBOXYLATE
Database identifiers
- PubChem CID
- 5383641
- ChEMBL
CHEMBL4296994
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
3 records
Linked notes
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