2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one

C9H10OS — CID 83905534

IUPAC2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESCCc1cc2c(s1)CCC2=O
InChIInChI=1S/C9H10OS/c1-2-6-5-7-8(10)3-4-9(7)11-6/h5H,2-4H2,1H3
InChIKeyGIYAEJIXGDAGNK-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.44
Rot. Bonds1

About 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one

2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one (PubChem CID 83905534) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one.

Molecular Properties

Compound Name2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one
PubChem CID83905534
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESCCc1cc2c(s1)CCC2=O
InChIInChI=1S/C9H10OS/c1-2-6-5-7-8(10)3-4-9(7)11-6/h5H,2-4H2,1H3
InChIKeyGIYAEJIXGDAGNK-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one?
The IUPAC name of 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one (CID 83905534) is 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one.
What is the SMILES notation for 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one?
The canonical SMILES for 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one is CCc1cc2c(s1)CCC2=O.
What is the InChIKey of 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one?
The InChIKey is GIYAEJIXGDAGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-2-6-5-7-8(10)3-4-9(7)11-6/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one?
2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one has a molecular weight of 166.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dihydrocyclopenta[b]thiophen-4-one is sourced from PubChem (CID 83905534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).