N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Basic information
- CAS
144038-79-9- Standard SMILES
CC(=O)Nc1sc2c(c1C#N)CCC2- InChIKey
SVVQBULYYMXCDX-UHFFFAOYSA-N- Molecular formula
- C10H10N2OS
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.05138412
Names & identifiers
- Preferred name
- N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
- IUPAC
- N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Names & synonyms
144038-79-9N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamideAcetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-Enamine_005954Cambridge id 5107423Oprea1_742310CBDivE_000693MLS001005682SCHEMBL5803825CHEMBL1730323DTXSID20350332HMS1410O14
Show more names
HMS2726I10AKOS000430235IDI1_008189SMR000348910CS-0337244AE-848/32730037SR-01000392415SR-01000392415-1
Database identifiers
- CAS
144038-79-9- PubChem CID
- 676715
- DTXSID
DTXSID20350332- ChEMBL
CHEMBL1730323- Nikkaji
- J900.481E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
Solubility>30.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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