disodium;ethene-1,1,2,2-tetracarbonitrile;hydride

C6H2N4Na2 — CID 173357424

IUPACdisodium;ethene-1,1,2,2-tetracarbonitrile;hydride
SMILESN#CC(C#N)=C(C#N)C#N.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6N4.2Na.2H/c7-1-5(2-8)6(3-9)4-10;;;;/q;2*+1;2*-1
InChIKeyNDZKCSJSVGZOFI-UHFFFAOYSA-N
MW176.09 g/mol
LogP-5.39
Rot. Bonds

About disodium;ethene-1,1,2,2-tetracarbonitrile;hydride

disodium;ethene-1,1,2,2-tetracarbonitrile;hydride (PubChem CID 173357424) has the molecular formula C6H2N4Na2 and a molecular weight of 176.09 g/mol. Its IUPAC name is disodium;ethene-1,1,2,2-tetracarbonitrile;hydride.

Molecular Properties

Compound Namedisodium;ethene-1,1,2,2-tetracarbonitrile;hydride
PubChem CID173357424
Molecular FormulaC6H2N4Na2
Molecular Weight176.09 g/mol
Exact Mass176.01
IUPAC Namedisodium;ethene-1,1,2,2-tetracarbonitrile;hydride
SMILESN#CC(C#N)=C(C#N)C#N.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6N4.2Na.2H/c7-1-5(2-8)6(3-9)4-10;;;;/q;2*+1;2*-1
InChIKeyNDZKCSJSVGZOFI-UHFFFAOYSA-N
XLogP-5.39
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.09
LogP ≤ 5-5.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride
CID 173344541
sodium;hydride;3-hydroxy-2-methylbut-2-enenitrile
CID 175260101
sodium;hydride;scandium;hydrate
CID 174797344
dipotassium;2,2-dicyanoethene-1,1-dithiolate
CID 19770836
sodium 2-(2,2-difluoro-1-hydroxyethylidene)propanedinitrile
CID 22618505
ethene-1,1,2,2-tetracarbonitrile;pyrene
CID 15821675
sodium;hydride;methyl thiocyanate
CID 173405652
(E)-2,3-dimethylbut-2-enedinitrile;ethane
CID 145022966
magnesium;acetonitrile;hydride
CID 175350434
lithium;cyanic acid;hydride
CID 173026699
trisodium;hydride;thiocyanic acid
CID 174868626
2-(1-amino-2,2-dimethylpropylidene)propanedinitrile
CID 10236016

Frequently Asked Questions

What is the IUPAC name of disodium;ethene-1,1,2,2-tetracarbonitrile;hydride?
The IUPAC name of disodium;ethene-1,1,2,2-tetracarbonitrile;hydride (CID 173357424) is disodium;ethene-1,1,2,2-tetracarbonitrile;hydride.
What is the SMILES notation for disodium;ethene-1,1,2,2-tetracarbonitrile;hydride?
The canonical SMILES for disodium;ethene-1,1,2,2-tetracarbonitrile;hydride is N#CC(C#N)=C(C#N)C#N.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;ethene-1,1,2,2-tetracarbonitrile;hydride?
The InChIKey is NDZKCSJSVGZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6N4.2Na.2H/c7-1-5(2-8)6(3-9)4-10;;;;/q;2*+1;2*-1.
What are the key properties of disodium;ethene-1,1,2,2-tetracarbonitrile;hydride?
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride has a molecular weight of 176.09 g/mol, XLogP of -5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethene-1,1,2,2-tetracarbonitrile;hydride is sourced from PubChem (CID 173357424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).