4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile

C10H11N3 — CID 11275298

IUPAC4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile
SMILESCN(C)/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C10H11N3/c1-13(2)12-8-10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3/b12-8+
InChIKeyQHZKOYJRKRNWQI-XYOKQWHBSA-N
MW173.22 g/mol
LogP1.45
Rot. Bonds2

About 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile

4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile (PubChem CID 11275298) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile
PubChem CID11275298
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile
SMILESCN(C)/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C10H11N3/c1-13(2)12-8-10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3/b12-8+
InChIKeyQHZKOYJRKRNWQI-XYOKQWHBSA-N
XLogP1.45
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile?
The IUPAC name of 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile (CID 11275298) is 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile.
What is the SMILES notation for 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile?
The canonical SMILES for 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile is CN(C)/N=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile?
The InChIKey is QHZKOYJRKRNWQI-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H11N3/c1-13(2)12-8-10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3/b12-8+.
What are the key properties of 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile?
4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(dimethylhydrazinylidene)methyl]benzonitrile is sourced from PubChem (CID 11275298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).