3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

C8H7NO2S — CID 141109652

IUPAC3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cc[nH]c12
InChIInChI=1S/C8H7NO2S/c1-4-6-5(2-3-9-6)12-7(4)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyWTCOSQHMDZJMAG-UHFFFAOYSA-N
MW181.22 g/mol
LogP2.24
Rot. Bonds1

About 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 141109652) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
PubChem CID141109652
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cc[nH]c12
InChIInChI=1S/C8H7NO2S/c1-4-6-5(2-3-9-6)12-7(4)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyWTCOSQHMDZJMAG-UHFFFAOYSA-N
XLogP2.24
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid (CID 141109652) is 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid is Cc1c(C(=O)O)sc2cc[nH]c12.
What is the InChIKey of 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is WTCOSQHMDZJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-4-6-5(2-3-9-6)12-7(4)8(10)11/h2-3,9H,1H3,(H,10,11).
What are the key properties of 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 181.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 141109652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).