Ethyl 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylate

HCID 378982
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Basic information

Standard SMILES
CCOC(=O)c1c(-c2ccccc2)c(C)cn1C
InChIKey
GHCXKSUSPXYUSB-UHFFFAOYSA-N
Molecular formula
C15H17NO2
Average molar mass
243.3 g/mol
Monoisotopic mass
243.12592879

Names & identifiers

Preferred name
Ethyl 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylate
IUPAC
ethyl 1,4-dimethyl-3-phenylpyrrole-2-carboxylate

Names & synonyms

Ethyl 1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylateNSC662574208529-48-0ethyl 1,4-dimethyl-3-phenylpyrrole-2-carboxylateSCHEMBL1748814CHEMBL2005287GHCXKSUSPXYUSB-UHFFFAOYSA-NNSC-662574NCI60_021661DB-220469ethyl 1,4-dimethyl-3-phenyl-pyrrole-2-carboxylate1,4-dimethyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester

Database identifiers

PubChem CID
378982
ChEMBL
CHEMBL2005287

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18

Related reactions

2 records
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Compound notes

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