2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile

C9H5N5O2 — CID 19495

IUPAC2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,12H
InChIKeyWPLQCARIFVAYOT-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.41
Rot. Bonds3

About 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 19495) has the molecular formula C9H5N5O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID19495
Molecular FormulaC9H5N5O2
Molecular Weight215.17 g/mol
Exact Mass215.04
IUPAC Name2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,12H
InChIKeyWPLQCARIFVAYOT-UHFFFAOYSA-N
XLogP1.41
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(4-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile (CID 19495) is 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is WPLQCARIFVAYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,12H.
What are the key properties of 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 215.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 19495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).