2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde

C9H10OS — CID 166794843

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde
SMILESO=CCC1CCc2ccsc21
InChIInChI=1S/C9H10OS/c10-5-3-7-1-2-8-4-6-11-9(7)8/h4-7H,1-3H2
InChIKeyXWLLYTXJXMMWNA-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.37
Rot. Bonds2

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde (PubChem CID 166794843) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde
PubChem CID166794843
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde
SMILESO=CCC1CCc2ccsc21
InChIInChI=1S/C9H10OS/c10-5-3-7-1-2-8-4-6-11-9(7)8/h4-7H,1-3H2
InChIKeyXWLLYTXJXMMWNA-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde (CID 166794843) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde is O=CCC1CCc2ccsc21.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde?
The InChIKey is XWLLYTXJXMMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-5-3-7-1-2-8-4-6-11-9(7)8/h4-7H,1-3H2.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde has a molecular weight of 166.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)acetaldehyde is sourced from PubChem (CID 166794843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).