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

C10H9NO2S — CID 14910437

IUPAC4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cn2cccc2)cs1
InChIInChI=1S/C10H9NO2S/c12-10(13)9-5-8(7-14-9)6-11-3-1-2-4-11/h1-5,7H,6H2,(H,12,13)
InChIKeyAKGPVKSJZBJRHY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.30
Rot. Bonds3

About 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid

4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 14910437) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
PubChem CID14910437
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cn2cccc2)cs1
InChIInChI=1S/C10H9NO2S/c12-10(13)9-5-8(7-14-9)6-11-3-1-2-4-11/h1-5,7H,6H2,(H,12,13)
InChIKeyAKGPVKSJZBJRHY-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

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Related Compounds

3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
CID 2776534
4,5-Dimethyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylic acid
CID 900051
2-(Allylthio)nicotinic acid
CID 1810568
4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
CID 3481483
2,5-Dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736309
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
N'-[(thiophen-2-ylcarbonyl)oxy]pyridine-3-carboximidamide
CID 9566912
5-Methyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid
CID 2748348
2-(1H-pyrrol-1-yl)-4H,5H,7H-thieno(2,3-c)thiopyran-3-carboxylic acid
CID 7131406
5-(Pyridin-4-yl)thiophene-2-carboxylic acid
CID 21928576
6-(Ethylsulfanyl)pyridine-3-carboxylic acid
CID 819425
Thieno[3,2-c]pyridine-2-carboxylic acid
CID 13580293

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid (CID 14910437) is 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1cc(Cn2cccc2)cs1.
What is the InChIKey of 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is AKGPVKSJZBJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(13)9-5-8(7-14-9)6-11-3-1-2-4-11/h1-5,7H,6H2,(H,12,13).
What are the key properties of 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid?
4-(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 4-(pyrrol-1-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 14910437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).