zinc;dicyanoalumanylformonitrile;dicyanide

C5AlN5Zn — CID 170561929

IUPACzinc;dicyanoalumanylformonitrile;dicyanide
SMILESN#C[Al](C#N)C#N.[C-]#N.[C-]#N.[Zn+2]
InChIInChI=1S/5CN.Al.Zn/c5*1-2;;/q;;;2*-1;;+2
InChIKeyISMLCPRHHRUQKG-UHFFFAOYSA-N
MW222.46 g/mol
LogP-0.14
Rot. Bonds

About zinc;dicyanoalumanylformonitrile;dicyanide

zinc;dicyanoalumanylformonitrile;dicyanide (PubChem CID 170561929) has the molecular formula C5AlN5Zn and a molecular weight of 222.46 g/mol. Its IUPAC name is zinc;dicyanoalumanylformonitrile;dicyanide.

Molecular Properties

Compound Namezinc;dicyanoalumanylformonitrile;dicyanide
PubChem CID170561929
Molecular FormulaC5AlN5Zn
Molecular Weight222.46 g/mol
Exact Mass220.93
IUPAC Namezinc;dicyanoalumanylformonitrile;dicyanide
SMILESN#C[Al](C#N)C#N.[C-]#N.[C-]#N.[Zn+2]
InChIInChI=1S/5CN.Al.Zn/c5*1-2;;/q;;;2*-1;;+2
InChIKeyISMLCPRHHRUQKG-UHFFFAOYSA-N
XLogP-0.14
TPSA118.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;dicyanoalumanylformonitrile;dicyanide?
The IUPAC name of zinc;dicyanoalumanylformonitrile;dicyanide (CID 170561929) is zinc;dicyanoalumanylformonitrile;dicyanide.
What is the SMILES notation for zinc;dicyanoalumanylformonitrile;dicyanide?
The canonical SMILES for zinc;dicyanoalumanylformonitrile;dicyanide is N#C[Al](C#N)C#N.[C-]#N.[C-]#N.[Zn+2].
What is the InChIKey of zinc;dicyanoalumanylformonitrile;dicyanide?
The InChIKey is ISMLCPRHHRUQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Al.Zn/c5*1-2;;/q;;;2*-1;;+2.
What are the key properties of zinc;dicyanoalumanylformonitrile;dicyanide?
zinc;dicyanoalumanylformonitrile;dicyanide has a molecular weight of 222.46 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;dicyanoalumanylformonitrile;dicyanide is sourced from PubChem (CID 170561929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).