3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid

C11H11NO2S — CID 102604724

IUPAC3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
SMILESCc1ccn(Cc2cccs2)c1C(=O)O
InChIInChI=1S/C11H11NO2S/c1-8-4-5-12(10(8)11(13)14)7-9-3-2-6-15-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyUQZDWGXVABFHLM-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.60
Rot. Bonds3

About 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid

3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid (PubChem CID 102604724) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
PubChem CID102604724
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
SMILESCc1ccn(Cc2cccs2)c1C(=O)O
InChIInChI=1S/C11H11NO2S/c1-8-4-5-12(10(8)11(13)14)7-9-3-2-6-15-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyUQZDWGXVABFHLM-UHFFFAOYSA-N
XLogP2.60
TPSA42.23 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid
CID 46253557
4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117233269
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 107112043
2,8-bis(thiophen-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 20855150
2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
CID 60780076
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
methyl 2-[4-hydroxy-2-oxo-1-(thiophen-2-ylmethyl)-3-pyridinyl]acetate
CID 54687305
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
CID 63810291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid (CID 102604724) is 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid is Cc1ccn(Cc2cccs2)c1C(=O)O.
What is the InChIKey of 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
The InChIKey is UQZDWGXVABFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-4-5-12(10(8)11(13)14)7-9-3-2-6-15-9/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 102604724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).