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

C7H6O2S — CID 45098384

IUPAC5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESO=C1c2sccc2CC1O
InChIInChI=1S/C7H6O2S/c8-5-3-4-1-2-10-7(4)6(5)9/h1-2,5,8H,3H2
InChIKeyPSVSGUDRFRBVIS-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.85
Rot. Bonds

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

5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one (PubChem CID 45098384) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one.

Molecular Properties

Compound Name5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
PubChem CID45098384
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESO=C1c2sccc2CC1O
InChIInChI=1S/C7H6O2S/c8-5-3-4-1-2-10-7(4)6(5)9/h1-2,5,8H,3H2
InChIKeyPSVSGUDRFRBVIS-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
The IUPAC name of 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one (CID 45098384) is 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one.
What is the SMILES notation for 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
The canonical SMILES for 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one is O=C1c2sccc2CC1O.
What is the InChIKey of 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
The InChIKey is PSVSGUDRFRBVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c8-5-3-4-1-2-10-7(4)6(5)9/h1-2,5,8H,3H2.
What are the key properties of 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one?
5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one has a molecular weight of 154.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one is sourced from PubChem (CID 45098384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).