2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile

C11H8N4 — CID 169338563

IUPAC2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
SMILESC=Cc1ccccc1NN=C(C#N)C#N
InChIInChI=1S/C11H8N4/c1-2-9-5-3-4-6-11(9)15-14-10(7-12)8-13/h2-6,15H,1H2
InChIKeyJIQKRVGUOVCKNP-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.14
Rot. Bonds3

About 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile

2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169338563) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169338563
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
SMILESC=Cc1ccccc1NN=C(C#N)C#N
InChIInChI=1S/C11H8N4/c1-2-9-5-3-4-6-11(9)15-14-10(7-12)8-13/h2-6,15H,1H2
InChIKeyJIQKRVGUOVCKNP-UHFFFAOYSA-N
XLogP2.14
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'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 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile (CID 169338563) is 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile is C=Cc1ccccc1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is JIQKRVGUOVCKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-9-5-3-4-6-11(9)15-14-10(7-12)8-13/h2-6,15H,1H2.
What are the key properties of 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile?
2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 196.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).