2-oxoindole-3,4-dicarbonitrile

C10H3N3O — CID 154016477

IUPAC2-oxoindole-3,4-dicarbonitrile
SMILESN#CC1=c2c(C#N)cccc2=NC1=O
InChIInChI=1S/C10H3N3O/c11-4-6-2-1-3-8-9(6)7(5-12)10(14)13-8/h1-3H
InChIKeyONCGCMCWJGJECL-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.61
Rot. Bonds

About 2-oxoindole-3,4-dicarbonitrile

2-oxoindole-3,4-dicarbonitrile (PubChem CID 154016477) has the molecular formula C10H3N3O and a molecular weight of 181.15 g/mol. Its IUPAC name is 2-oxoindole-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-oxoindole-3,4-dicarbonitrile
PubChem CID154016477
Molecular FormulaC10H3N3O
Molecular Weight181.15 g/mol
Exact Mass181.03
IUPAC Name2-oxoindole-3,4-dicarbonitrile
SMILESN#CC1=c2c(C#N)cccc2=NC1=O
InChIInChI=1S/C10H3N3O/c11-4-6-2-1-3-8-9(6)7(5-12)10(14)13-8/h1-3H
InChIKeyONCGCMCWJGJECL-UHFFFAOYSA-N
XLogP-0.61
TPSA77.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxoindole-3,4-dicarbonitrile?
The IUPAC name of 2-oxoindole-3,4-dicarbonitrile (CID 154016477) is 2-oxoindole-3,4-dicarbonitrile.
What is the SMILES notation for 2-oxoindole-3,4-dicarbonitrile?
The canonical SMILES for 2-oxoindole-3,4-dicarbonitrile is N#CC1=c2c(C#N)cccc2=NC1=O.
What is the InChIKey of 2-oxoindole-3,4-dicarbonitrile?
The InChIKey is ONCGCMCWJGJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3N3O/c11-4-6-2-1-3-8-9(6)7(5-12)10(14)13-8/h1-3H.
What are the key properties of 2-oxoindole-3,4-dicarbonitrile?
2-oxoindole-3,4-dicarbonitrile has a molecular weight of 181.15 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoindole-3,4-dicarbonitrile is sourced from PubChem (CID 154016477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).