4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid

C8H6O3S — CID 11521185

IUPAC4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid
SMILESO=C1CC(C(=O)O)c2sccc21
InChIInChI=1S/C8H6O3S/c9-6-3-5(8(10)11)7-4(6)1-2-12-7/h1-2,5H,3H2,(H,10,11)
InChIKeyABRXSGSNXBFEGB-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.50
Rot. Bonds1

About 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid

4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid (PubChem CID 11521185) has the molecular formula C8H6O3S and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid
PubChem CID11521185
Molecular FormulaC8H6O3S
Molecular Weight182.20 g/mol
Exact Mass182.00
IUPAC Name4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid
SMILESO=C1CC(C(=O)O)c2sccc21
InChIInChI=1S/C8H6O3S/c9-6-3-5(8(10)11)7-4(6)1-2-12-7/h1-2,5H,3H2,(H,10,11)
InChIKeyABRXSGSNXBFEGB-UHFFFAOYSA-N
XLogP1.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The IUPAC name of 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid (CID 11521185) is 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid.
What is the SMILES notation for 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The canonical SMILES for 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid is O=C1CC(C(=O)O)c2sccc21.
What is the InChIKey of 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The InChIKey is ABRXSGSNXBFEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3S/c9-6-3-5(8(10)11)7-4(6)1-2-12-7/h1-2,5H,3H2,(H,10,11).
What are the key properties of 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid has a molecular weight of 182.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5,6-dihydrocyclopenta[b]thiophene-6-carboxylic acid is sourced from PubChem (CID 11521185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).