Basic information
- Standard SMILES
CCOC(=O)/C=C/c1cc(C)c(C(=O)OCC)[nH]1- InChIKey
YUIDQWIJZPETPI-VOTSOKGWSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-[(E)-2-ethoxycarbonylvinyl]-3-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylate
Names & synonyms
SCHEMBL3596350YUIDQWIJZPETPI-VOTSOKGWSA-NEthyl 5-[(E)-2-ethoxycarbonylvinyl]-3-methyl-1H-pyrrole-2-carboxyateEthyl 5-[(E)-2-ethoxycarbonylvinyl]-3-methyl-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 59198650
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
3 records
Compound notes
Loading…