3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid

C10H9NO2S — CID 14910436

IUPAC3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1cccc1
InChIInChI=1S/C10H9NO2S/c12-10(13)9-8(3-6-14-9)7-11-4-1-2-5-11/h1-6H,7H2,(H,12,13)
InChIKeyOAQYRMGLQRLFIF-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.30
Rot. Bonds3

About 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid

3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 14910436) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
PubChem CID14910436
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1cccc1
InChIInChI=1S/C10H9NO2S/c12-10(13)9-8(3-6-14-9)7-11-4-1-2-5-11/h1-6H,7H2,(H,12,13)
InChIKeyOAQYRMGLQRLFIF-UHFFFAOYSA-N
XLogP2.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
CID 14910424
3-[(pyrrol-1-ylamino)methyl]thiophene-2-carboxylic acid
CID 103255615
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641091
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
3-(1,2,4-triazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 63640369
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carboxylic acid
CID 115560430
3-[(3,3,4-trimethylpiperazin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639065
3-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639196
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 63640899
3-[(3-cyclopropylpyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 64778166
3-[(2-methylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639879

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid (CID 14910436) is 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1Cn1cccc1.
What is the InChIKey of 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is OAQYRMGLQRLFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(13)9-8(3-6-14-9)7-11-4-1-2-5-11/h1-6H,7H2,(H,12,13).
What are the key properties of 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 14910436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).