2-oxoindole-3-carbonitrile

C9H4N2O — CID 154401738

IUPAC2-oxoindole-3-carbonitrile
SMILESN#CC1=c2ccccc2=NC1=O
InChIInChI=1S/C9H4N2O/c10-5-7-6-3-1-2-4-8(6)11-9(7)12/h1-4H
InChIKeySJQAADVHBQDKPQ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.48
Rot. Bonds

About 2-oxoindole-3-carbonitrile

2-oxoindole-3-carbonitrile (PubChem CID 154401738) has the molecular formula C9H4N2O and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-oxoindole-3-carbonitrile.

Molecular Properties

Compound Name2-oxoindole-3-carbonitrile
PubChem CID154401738
Molecular FormulaC9H4N2O
Molecular Weight156.14 g/mol
Exact Mass156.03
IUPAC Name2-oxoindole-3-carbonitrile
SMILESN#CC1=c2ccccc2=NC1=O
InChIInChI=1S/C9H4N2O/c10-5-7-6-3-1-2-4-8(6)11-9(7)12/h1-4H
InChIKeySJQAADVHBQDKPQ-UHFFFAOYSA-N
XLogP-0.48
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxoindole-3-carbonitrile?
The IUPAC name of 2-oxoindole-3-carbonitrile (CID 154401738) is 2-oxoindole-3-carbonitrile.
What is the SMILES notation for 2-oxoindole-3-carbonitrile?
The canonical SMILES for 2-oxoindole-3-carbonitrile is N#CC1=c2ccccc2=NC1=O.
What is the InChIKey of 2-oxoindole-3-carbonitrile?
The InChIKey is SJQAADVHBQDKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O/c10-5-7-6-3-1-2-4-8(6)11-9(7)12/h1-4H.
What are the key properties of 2-oxoindole-3-carbonitrile?
2-oxoindole-3-carbonitrile has a molecular weight of 156.14 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoindole-3-carbonitrile is sourced from PubChem (CID 154401738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).