1H-Pyrrole-2-carboxylic acid, 5-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-, ethyl ester

HCID 5383641

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

Related reactions

3 records

Linked notes

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