ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate

C11H11NO2S — CID 101347012

IUPACethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc[nH]c1-c1cccs1
InChIInChI=1S/C11H11NO2S/c1-2-14-11(13)8-5-6-12-10(8)9-4-3-7-15-9/h3-7,12H,2H2,1H3
InChIKeyIPYYQHQHCRONHI-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.92
Rot. Bonds3

About ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate

ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate (PubChem CID 101347012) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate
PubChem CID101347012
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Nameethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc[nH]c1-c1cccs1
InChIInChI=1S/C11H11NO2S/c1-2-14-11(13)8-5-6-12-10(8)9-4-3-7-15-9/h3-7,12H,2H2,1H3
InChIKeyIPYYQHQHCRONHI-UHFFFAOYSA-N
XLogP2.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-methyl-4-phenyl-1h-pyrrole-3-carboxylate
CID 230431
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 2549851
methyl 4H-thieno(3,2-b)pyrrole-2-carboxylate
CID 12110979
Ethyl 5'-(isonicotinamido)-[2,3'-bithiophene]-4'-carboxylate
CID 661910
Methyl 1-(thiophene-2-carbonyl)-1H-indole-3-carboxylate
CID 702931
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-methylthiophene-2-carboxylate
CID 3308150
Ethyl 2-amino-4-(5-methyl-2-pyridinyl)thiophene-3-carboxylate
CID 2795615
Methyl 6-thiophen-3-ylpyridine-3-carboxylate
CID 155679166
Methyl 3-amino-5-(pyridin-4-yl)thiophene-2-carboxylate
CID 43155531
Ethyl 5-(4-fluorophenyl)-2-methyl-1-({[(thiophen-2-YL)methyl]carbamoyl}methyl)-1H-pyrrole-3-carboxylate
CID 20969536
Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate
CID 66924698
Ethyl 5-phenyl-1H-pyrrole-3-carboxylate
CID 10242379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate (CID 101347012) is ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc[nH]c1-c1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate?
The InChIKey is IPYYQHQHCRONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-2-14-11(13)8-5-6-12-10(8)9-4-3-7-15-9/h3-7,12H,2H2,1H3.
What are the key properties of ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate?
ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 101347012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).