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

C9H10OS — CID 58526153

IUPAC4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESCC1C(=O)c2sccc2C1C
InChIInChI=1S/C9H10OS/c1-5-6(2)8(10)9-7(5)3-4-11-9/h3-6H,1-2H3
InChIKeyKWGXHAKFXRZDCB-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.68
Rot. Bonds

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

4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one (PubChem CID 58526153) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one.

Molecular Properties

Compound Name4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one
PubChem CID58526153
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESCC1C(=O)c2sccc2C1C
InChIInChI=1S/C9H10OS/c1-5-6(2)8(10)9-7(5)3-4-11-9/h3-6H,1-2H3
InChIKeyKWGXHAKFXRZDCB-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
The IUPAC name of 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one (CID 58526153) is 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one.
What is the SMILES notation for 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
The canonical SMILES for 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one is CC1C(=O)c2sccc2C1C.
What is the InChIKey of 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
The InChIKey is KWGXHAKFXRZDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-5-6(2)8(10)9-7(5)3-4-11-9/h3-6H,1-2H3.
What are the key properties of 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one has a molecular weight of 166.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-6-one is sourced from PubChem (CID 58526153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).