1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid

C10H9NO2S — CID 117001368

IUPAC1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid
SMILESCn1cc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C10H9NO2S/c1-11-6-7(5-8(11)10(12)13)9-3-2-4-14-9/h2-6H,1H3,(H,12,13)
InChIKeyTVXXOJLQVICLCP-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.45
Rot. Bonds2

About 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid

1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid (PubChem CID 117001368) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid
PubChem CID117001368
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid
SMILESCn1cc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C10H9NO2S/c1-11-6-7(5-8(11)10(12)13)9-3-2-4-14-9/h2-6H,1H3,(H,12,13)
InChIKeyTVXXOJLQVICLCP-UHFFFAOYSA-N
XLogP2.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
CID 16780129
2-fluoro-1-methyl-4-thiophen-2-ylpyrrole
CID 175124499
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
4-cyano-1-methyl-3-(4-thiophen-2-ylphenyl)pyrrole-2-carboxylic acid;methanethiol
CID 143040555
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
2-fluoro-5-thiophen-2-ylbenzoic acid
CID 16768898
2-(1-methyl-6-oxo-4-thiophen-2-yl-2-pyridinyl)benzoic acid
CID 11358841
4-fluoro-1-methylpyrrole-2-carboxylic acid
CID 84648823

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid (CID 117001368) is 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid is Cn1cc(-c2cccs2)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid?
The InChIKey is TVXXOJLQVICLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-11-6-7(5-8(11)10(12)13)9-3-2-4-14-9/h2-6H,1H3,(H,12,13).
What are the key properties of 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid?
1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 117001368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).