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

C8H8OS — CID 10511036

IUPAC4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESCC1CC(=O)c2sccc21
InChIInChI=1S/C8H8OS/c1-5-4-7(9)8-6(5)2-3-10-8/h2-3,5H,4H2,1H3
InChIKeyAXJOWUPRJUJACD-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.44
Rot. Bonds

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

4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one (PubChem CID 10511036) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one.

Molecular Properties

Compound Name4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one
PubChem CID10511036
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESCC1CC(=O)c2sccc21
InChIInChI=1S/C8H8OS/c1-5-4-7(9)8-6(5)2-3-10-8/h2-3,5H,4H2,1H3
InChIKeyAXJOWUPRJUJACD-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-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-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
The IUPAC name of 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one (CID 10511036) is 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one.
What is the SMILES notation for 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
The canonical SMILES for 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one is CC1CC(=O)c2sccc21.
What is the InChIKey of 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
The InChIKey is AXJOWUPRJUJACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-5-4-7(9)8-6(5)2-3-10-8/h2-3,5H,4H2,1H3.
What are the key properties of 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one?
4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one has a molecular weight of 152.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one is sourced from PubChem (CID 10511036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).