5-(2-oxopropyl)thiophene-2-carboxylic acid

C8H8O3S — CID 58339018

IUPAC5-(2-oxopropyl)thiophene-2-carboxylic acid
SMILESCC(=O)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C8H8O3S/c1-5(9)4-6-2-3-7(12-6)8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyUZTUWMCUVJOKKN-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.58
Rot. Bonds3

About 5-(2-oxopropyl)thiophene-2-carboxylic acid

5-(2-oxopropyl)thiophene-2-carboxylic acid (PubChem CID 58339018) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-(2-oxopropyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxopropyl)thiophene-2-carboxylic acid
PubChem CID58339018
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name5-(2-oxopropyl)thiophene-2-carboxylic acid
SMILESCC(=O)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C8H8O3S/c1-5(9)4-6-2-3-7(12-6)8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyUZTUWMCUVJOKKN-UHFFFAOYSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(iodomethyl)thiophene-2-carboxylic acid
CID 89145755
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377922
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid
CID 63377798
5-[(N-ethyl-4-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 63378156
5-(butylsulfanylmethyl)thiophene-2-carboxylic acid
CID 63378333
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103261480

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-oxopropyl)thiophene-2-carboxylic acid (CID 58339018) is 5-(2-oxopropyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-oxopropyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-oxopropyl)thiophene-2-carboxylic acid is CC(=O)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-oxopropyl)thiophene-2-carboxylic acid?
The InChIKey is UZTUWMCUVJOKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c1-5(9)4-6-2-3-7(12-6)8(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 5-(2-oxopropyl)thiophene-2-carboxylic acid?
5-(2-oxopropyl)thiophene-2-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 58339018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).