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

C7H6O2S — CID 59511550

IUPAC5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESO=C1c2ccsc2CC1O
InChIInChI=1S/C7H6O2S/c8-5-3-6-4(7(5)9)1-2-10-6/h1-2,5,8H,3H2
InChIKeyIDZUCYBAJNZKCS-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.85
Rot. Bonds

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

5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one (PubChem CID 59511550) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one.

Molecular Properties

Compound Name5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one
PubChem CID59511550
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESO=C1c2ccsc2CC1O
InChIInChI=1S/C7H6O2S/c8-5-3-6-4(7(5)9)1-2-10-6/h1-2,5,8H,3H2
InChIKeyIDZUCYBAJNZKCS-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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Related Compounds

5,5-Dihydroxycyclopenta[b]thiophene-4,6-dione
CID 10910210
4-Hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 11062595
(5E)-5-(hydroxymethylidene)cyclopenta[b]thiophene-4,6-dione
CID 23147989
2-Hydroxy-1-(5-methylthiophen-3-yl)ethanone
CID 58514699
5-(Hydroxymethylidene)cyclopenta[b]thiophene-4,6-dione
CID 74020651
2-(5-Hydroxy-6-oxocyclopenta[b]thiophen-4-ylidene)propanedinitrile
CID 146552563
(5R)-5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 11147835
(5R)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
CID 11367222
(5S)-5-hydroxy-5-methyl-4H-cyclopenta[b]thiophen-6-one
CID 11389622
(5S)-5-hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 11457801
5-Hydroxy-5-methyl-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one
CID 21578633
5-Hydroxy-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 45098384

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one?
The IUPAC name of 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one (CID 59511550) is 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one.
What is the SMILES notation for 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one?
The canonical SMILES for 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one is O=C1c2ccsc2CC1O.
What is the InChIKey of 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one?
The InChIKey is IDZUCYBAJNZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c8-5-3-6-4(7(5)9)1-2-10-6/h1-2,5,8H,3H2.
What are the key properties of 5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-one?
5-hydroxy-5,6-dihydrocyclopenta[b]thiophen-4-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-5,6-dihydrocyclopenta[b]thiophen-4-one is sourced from PubChem (CID 59511550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).