isocyanic acid;nickel

CHNNiO — CID 88815088

IUPACisocyanic acid;nickel
SMILESN=C=O.[Ni]
InChIInChI=1S/CHNO.Ni/c2-1-3;/h2H;
InChIKeyLZICSBGCTUZRIC-UHFFFAOYSA-N
MW101.72 g/mol
LogP-0.10
Rot. Bonds

About isocyanic acid;nickel

isocyanic acid;nickel (PubChem CID 88815088) has the molecular formula CHNNiO and a molecular weight of 101.72 g/mol. Its IUPAC name is isocyanic acid;nickel.

Molecular Properties

Compound Nameisocyanic acid;nickel
PubChem CID88815088
Molecular FormulaCHNNiO
Molecular Weight101.72 g/mol
Exact Mass100.94
IUPAC Nameisocyanic acid;nickel
SMILESN=C=O.[Ni]
InChIInChI=1S/CHNO.Ni/c2-1-3;/h2H;
InChIKeyLZICSBGCTUZRIC-UHFFFAOYSA-N
XLogP-0.10
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.72
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;trihydrochloride
CID 172863898
isocyanic acid;sulfane
CID 161242825
CID 87228309
CID 87228309
isocyanic acid;hydrate
CID 19755102
isocyanic acid;hydrofluoride
CID 175035145
isocyanic acid;hydroiodide
CID 88505610
isocyanic acid;zirconium
CID 173007129
isocyanic acid;lanthanum
CID 160896504
isocyanic acid;hexahydrobromide
CID 172844137
isocyanic acid;methane
CID 173240059
hydrazine;isocyanic acid
CID 88746590
isocyanic acid;methane;hexahydrofluoride
CID 173057385

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;nickel?
The IUPAC name of isocyanic acid;nickel (CID 88815088) is isocyanic acid;nickel.
What is the SMILES notation for isocyanic acid;nickel?
The canonical SMILES for isocyanic acid;nickel is N=C=O.[Ni].
What is the InChIKey of isocyanic acid;nickel?
The InChIKey is LZICSBGCTUZRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.Ni/c2-1-3;/h2H;.
What are the key properties of isocyanic acid;nickel?
isocyanic acid;nickel has a molecular weight of 101.72 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;nickel is sourced from PubChem (CID 88815088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).