Ethyl 5-[(E)-2-ethoxycarbonylvinyl]-3-methyl-1H-pyrrole-2-carboxylate

HCID 59198650

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

Related reactions

3 records

Compound notes

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