methanone;nickel(2+)

C2H2NiO2 — CID 22982994

IUPACmethanone;nickel(2+)
SMILES[CH-]=O.[CH-]=O.[Ni+2]
InChIInChI=1S/2CHO.Ni/c2*1-2;/h2*1H;/q2*-1;+2
InChIKeyQFLDLAQAHZXCQC-UHFFFAOYSA-N
MW116.73 g/mol
LogP-0.55
Rot. Bonds

About methanone;nickel(2+)

methanone;nickel(2+) (PubChem CID 22982994) has the molecular formula C2H2NiO2 and a molecular weight of 116.73 g/mol. Its IUPAC name is methanone;nickel(2+).

Molecular Properties

Compound Namemethanone;nickel(2+)
PubChem CID22982994
Molecular FormulaC2H2NiO2
Molecular Weight116.73 g/mol
Exact Mass115.94
IUPAC Namemethanone;nickel(2+)
SMILES[CH-]=O.[CH-]=O.[Ni+2]
InChIInChI=1S/2CHO.Ni/c2*1-2;/h2*1H;/q2*-1;+2
InChIKeyQFLDLAQAHZXCQC-UHFFFAOYSA-N
XLogP-0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.73
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanone;nickel(2+)?
The IUPAC name of methanone;nickel(2+) (CID 22982994) is methanone;nickel(2+).
What is the SMILES notation for methanone;nickel(2+)?
The canonical SMILES for methanone;nickel(2+) is [CH-]=O.[CH-]=O.[Ni+2].
What is the InChIKey of methanone;nickel(2+)?
The InChIKey is QFLDLAQAHZXCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHO.Ni/c2*1-2;/h2*1H;/q2*-1;+2.
What are the key properties of methanone;nickel(2+)?
methanone;nickel(2+) has a molecular weight of 116.73 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;nickel(2+) is sourced from PubChem (CID 22982994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).