3-(1,3-Benzodioxol-4-yl)-3-hydroxy-2-oxo indoline-5-carbonitrile

HCID 67429233
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Basic information

Standard SMILES
N#Cc1ccc2c(c1)C(O)(c1cccc3c1OCO3)C(=O)N2
InChIKey
ARCZPOHUNMKDNT-UHFFFAOYSA-N
Molecular formula
C16H10N2O4
Average molar mass
294.26 g/mol
Monoisotopic mass
294.0640568

Names & identifiers

Preferred name
3-(1,3-Benzodioxol-4-yl)-3-hydroxy-2-oxo indoline-5-carbonitrile
IUPAC
3-(1,3-benzodioxol-4-yl)-3-hydroxy-2-oxo-1H-indole-5-carbonitrile

Names & synonyms

SCHEMBL2496902ARCZPOHUNMKDNT-UHFFFAOYSA-N3-(1,3-benzodioxol-4-yl)-3-hydroxy-2-oxo indoline-5-carbonitrile

Database identifiers

PubChem CID
67429233

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
91.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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