2-oxoindole-7-carbonitrile

C9H4N2O — CID 141361100

IUPAC2-oxoindole-7-carbonitrile
SMILESN#Cc1cccc2c1=NC(=O)C=2
InChIInChI=1S/C9H4N2O/c10-5-7-3-1-2-6-4-8(12)11-9(6)7/h1-4H
InChIKeyZKBQPLNJBFGKLQ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.50
Rot. Bonds

About 2-oxoindole-7-carbonitrile

2-oxoindole-7-carbonitrile (PubChem CID 141361100) has the molecular formula C9H4N2O and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-oxoindole-7-carbonitrile.

Molecular Properties

Compound Name2-oxoindole-7-carbonitrile
PubChem CID141361100
Molecular FormulaC9H4N2O
Molecular Weight156.14 g/mol
Exact Mass156.03
IUPAC Name2-oxoindole-7-carbonitrile
SMILESN#Cc1cccc2c1=NC(=O)C=2
InChIInChI=1S/C9H4N2O/c10-5-7-3-1-2-6-4-8(12)11-9(6)7/h1-4H
InChIKeyZKBQPLNJBFGKLQ-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxoindole-7-carbonitrile?
The IUPAC name of 2-oxoindole-7-carbonitrile (CID 141361100) is 2-oxoindole-7-carbonitrile.
What is the SMILES notation for 2-oxoindole-7-carbonitrile?
The canonical SMILES for 2-oxoindole-7-carbonitrile is N#Cc1cccc2c1=NC(=O)C=2.
What is the InChIKey of 2-oxoindole-7-carbonitrile?
The InChIKey is ZKBQPLNJBFGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O/c10-5-7-3-1-2-6-4-8(12)11-9(6)7/h1-4H.
What are the key properties of 2-oxoindole-7-carbonitrile?
2-oxoindole-7-carbonitrile has a molecular weight of 156.14 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoindole-7-carbonitrile is sourced from PubChem (CID 141361100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).