2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile

C16H10N2O2 — CID 2205069

IUPAC2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C16H10N2O2/c17-9-11-5-1-2-6-12(11)10-18-14-8-4-3-7-13(14)15(19)16(18)20/h1-8H,10H2
InChIKeyMFUWIWKZPMPDIY-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.29
Rot. Bonds2

About 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile

2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile (PubChem CID 2205069) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
PubChem CID2205069
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C16H10N2O2/c17-9-11-5-1-2-6-12(11)10-18-14-8-4-3-7-13(14)15(19)16(18)20/h1-8H,10H2
InChIKeyMFUWIWKZPMPDIY-UHFFFAOYSA-N
XLogP2.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile (CID 2205069) is 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile is N#Cc1ccccc1CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile?
The InChIKey is MFUWIWKZPMPDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-9-11-5-1-2-6-12(11)10-18-14-8-4-3-7-13(14)15(19)16(18)20/h1-8H,10H2.
What are the key properties of 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile?
2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 2205069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).