5-(Pyridine-3-carbonyl)-5,6-dihydro-cyclopenta[b]thiophen-4-one

HCID 86699208
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Basic information

Standard SMILES
O=C(c1cccnc1)C1Cc2sccc2C1=O
InChIKey
JQBSINSFGQOXIV-UHFFFAOYSA-N
Molecular formula
C13H9NO2S
Average molar mass
243.28 g/mol
Monoisotopic mass
243.0353997

Names & identifiers

Preferred name
5-(Pyridine-3-carbonyl)-5,6-dihydro-cyclopenta[b]thiophen-4-one
IUPAC
5-(pyridine-3-carbonyl)-5,6-dihydrocyclopenta[b]thiophen-4-one

Names & synonyms

SCHEMBL15312416JQBSINSFGQOXIV-UHFFFAOYSA-N5-(Pyridine-3-carbonyl)-5,6-dihydro-cyclopenta[b]thiophen-4-one

Database identifiers

PubChem CID
86699208

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
75.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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