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

C10H11NO2S — CID 6623407

IUPACmethyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1cc2[nH]c(C(=O)OC)cc2s1
InChIInChI=1S/C10H11NO2S/c1-3-6-4-7-9(14-6)5-8(11-7)10(12)13-2/h4-5,11H,3H2,1-2H3
InChIKeyHUMZERLPZDIJAH-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.58
Rot. Bonds2

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

methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 6623407) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID6623407
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Namemethyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCc1cc2[nH]c(C(=O)OC)cc2s1
InChIInChI=1S/C10H11NO2S/c1-3-6-4-7-9(14-6)5-8(11-7)10(12)13-2/h4-5,11H,3H2,1-2H3
InChIKeyHUMZERLPZDIJAH-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (CID 6623407) is methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is CCc1cc2[nH]c(C(=O)OC)cc2s1.
What is the InChIKey of methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HUMZERLPZDIJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-3-6-4-7-9(14-6)5-8(11-7)10(12)13-2/h4-5,11H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6623407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).