4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one

C7H6O2S — CID 11062595

IUPAC4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESO=C1CC(O)c2ccsc21
InChIInChI=1S/C7H6O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2,5,8H,3H2
InChIKeyIOTGPIHUHWUGJE-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one

4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one (PubChem CID 11062595) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one.

Molecular Properties

Compound Name4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
PubChem CID11062595
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESO=C1CC(O)c2ccsc21
InChIInChI=1S/C7H6O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2,5,8H,3H2
InChIKeyIOTGPIHUHWUGJE-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
The IUPAC name of 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one (CID 11062595) is 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one.
What is the SMILES notation for 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
The canonical SMILES for 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one is O=C1CC(O)c2ccsc21.
What is the InChIKey of 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
The InChIKey is IOTGPIHUHWUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c8-5-3-6(9)7-4(5)1-2-10-7/h1-2,5,8H,3H2.
What are the key properties of 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one has a molecular weight of 154.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one is sourced from PubChem (CID 11062595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).