1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one

C9H10OS — CID 24977639

IUPAC1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one
SMILESCc1sc(C)c2c1CCC2=O
InChIInChI=1S/C9H10OS/c1-5-7-3-4-8(10)9(7)6(2)11-5/h3-4H2,1-2H3
InChIKeyWOOQYZVNHCKOFV-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.49
Rot. Bonds

About 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one

1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one (PubChem CID 24977639) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one.

Molecular Properties

Compound Name1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one
PubChem CID24977639
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one
SMILESCc1sc(C)c2c1CCC2=O
InChIInChI=1S/C9H10OS/c1-5-7-3-4-8(10)9(7)6(2)11-5/h3-4H2,1-2H3
InChIKeyWOOQYZVNHCKOFV-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one?
The IUPAC name of 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one (CID 24977639) is 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one.
What is the SMILES notation for 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one?
The canonical SMILES for 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one is Cc1sc(C)c2c1CCC2=O.
What is the InChIKey of 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one?
The InChIKey is WOOQYZVNHCKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-5-7-3-4-8(10)9(7)6(2)11-5/h3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one?
1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one has a molecular weight of 166.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-dihydrocyclopenta[c]thiophen-4-one is sourced from PubChem (CID 24977639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).