5-Thien-2-yl-1,3-dihydro-2H-indol-2-one

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Basic information

CAS: 189748-08-1
Standard SMILES: O=C1Cc2cc(-c3cccs3)ccc2N1
InChIKey: RXXJBDYWKIOAPJ-UHFFFAOYSA-N
Molecular formula: C12H9NOS
Average molar mass: 215.27 g/mol
Monoisotopic mass: 215.04048508

Names & identifiers

Preferred name: 5-Thien-2-yl-1,3-dihydro-2H-indol-2-one
IUPAC: 5-thiophen-2-yl-1,3-dihydroindol-2-one

Names & synonyms

189748-08-15-Thien-2-yl-1,3-dihydro-2H-indol-2-one5-(Thiophen-2-yl)indolin-2-oneSCHEMBL4062478DTXSID90586247RXXJBDYWKIOAPJ-UHFFFAOYSA-NAKOS000276729DB-2196135-(Thiophen-2-yl)-1,3-dihydro-2H-indol-2-one

Database identifiers

CAS: 189748-08-1
PubChem CID: 16637508
DTXSID: DTXSID90586247

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 268

Related reactions

2 records

New reaction record

HRID 289582As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 748524As productuspto-grants-2008_07

Compound notes

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