4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid

C10H9NO2S — CID 3481483

IUPAC4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1-n1cccc1
InChIInChI=1S/C10H9NO2S/c1-7-6-14-9(10(12)13)8(7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
InChIKeyDNMVATVOBPDINI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.55
Rot. Bonds2

About 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid

4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid (PubChem CID 3481483) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid
PubChem CID3481483
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1-n1cccc1
InChIInChI=1S/C10H9NO2S/c1-7-6-14-9(10(12)13)8(7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
InChIKeyDNMVATVOBPDINI-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid (CID 3481483) is 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1-n1cccc1.
What is the InChIKey of 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid?
The InChIKey is DNMVATVOBPDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7-6-14-9(10(12)13)8(7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13).
What are the key properties of 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid?
4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 3481483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).