ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C10H11NO2S — CID 1438928

IUPACethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2[nH]1
InChIInChI=1S/C10H11NO2S/c1-3-13-10(12)8-5-9-7(11-8)4-6(2)14-9/h4-5,11H,3H2,1-2H3
InChIKeyOWWISVHKUJKEQH-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.71
Rot. Bonds2

About ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438928) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID1438928
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Nameethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2[nH]1
InChIInChI=1S/C10H11NO2S/c1-3-13-10(12)8-5-9-7(11-8)4-6(2)14-9/h4-5,11H,3H2,1-2H3
InChIKeyOWWISVHKUJKEQH-UHFFFAOYSA-N
XLogP2.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (CID 1438928) is ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sc(C)cc2[nH]1.
What is the InChIKey of ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is OWWISVHKUJKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-3-13-10(12)8-5-9-7(11-8)4-6(2)14-9/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).