alumane;formonitrile;nickel

CH4AlNNi — CID 174717454

IUPACalumane;formonitrile;nickel
SMILESC#N.[AlH3].[Ni]
InChIInChI=1S/CHN.Al.Ni.3H/c1-2;;;;;/h1H;;;;;
InChIKeySSSVWCINJNCOLD-UHFFFAOYSA-N
MW115.72 g/mol
LogP-1.05
Rot. Bonds

About alumane;formonitrile;nickel

alumane;formonitrile;nickel (PubChem CID 174717454) has the molecular formula CH4AlNNi and a molecular weight of 115.72 g/mol. Its IUPAC name is alumane;formonitrile;nickel.

Molecular Properties

Compound Namealumane;formonitrile;nickel
PubChem CID174717454
Molecular FormulaCH4AlNNi
Molecular Weight115.72 g/mol
Exact Mass114.95
IUPAC Namealumane;formonitrile;nickel
SMILESC#N.[AlH3].[Ni]
InChIInChI=1S/CHN.Al.Ni.3H/c1-2;;;;;/h1H;;;;;
InChIKeySSSVWCINJNCOLD-UHFFFAOYSA-N
XLogP-1.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.72
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of alumane;formonitrile;nickel?
The IUPAC name of alumane;formonitrile;nickel (CID 174717454) is alumane;formonitrile;nickel.
What is the SMILES notation for alumane;formonitrile;nickel?
The canonical SMILES for alumane;formonitrile;nickel is C#N.[AlH3].[Ni].
What is the InChIKey of alumane;formonitrile;nickel?
The InChIKey is SSSVWCINJNCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN.Al.Ni.3H/c1-2;;;;;/h1H;;;;;.
What are the key properties of alumane;formonitrile;nickel?
alumane;formonitrile;nickel has a molecular weight of 115.72 g/mol, XLogP of -1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;formonitrile;nickel is sourced from PubChem (CID 174717454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).