benzene;methanone;nickel

C7H7NiO- — CID 174940879

IUPACbenzene;methanone;nickel
SMILES[CH-]=O.[Ni].c1ccccc1
InChIInChI=1S/C6H6.CHO.Ni/c1-2-4-6-5-3-1;1-2;/h1-6H;1H;/q;-1;
InChIKeyQIPOYPLTXXMLTO-UHFFFAOYSA-N
MW165.82 g/mol
LogP1.41
Rot. Bonds

About benzene;methanone;nickel

benzene;methanone;nickel (PubChem CID 174940879) has the molecular formula C7H7NiO- and a molecular weight of 165.82 g/mol. Its IUPAC name is benzene;methanone;nickel.

Molecular Properties

Compound Namebenzene;methanone;nickel
PubChem CID174940879
Molecular FormulaC7H7NiO-
Molecular Weight165.82 g/mol
Exact Mass164.99
IUPAC Namebenzene;methanone;nickel
SMILES[CH-]=O.[Ni].c1ccccc1
InChIInChI=1S/C6H6.CHO.Ni/c1-2-4-6-5-3-1;1-2;/h1-6H;1H;/q;-1;
InChIKeyQIPOYPLTXXMLTO-UHFFFAOYSA-N
XLogP1.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.82
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;methanone;nickel?
The IUPAC name of benzene;methanone;nickel (CID 174940879) is benzene;methanone;nickel.
What is the SMILES notation for benzene;methanone;nickel?
The canonical SMILES for benzene;methanone;nickel is [CH-]=O.[Ni].c1ccccc1.
What is the InChIKey of benzene;methanone;nickel?
The InChIKey is QIPOYPLTXXMLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CHO.Ni/c1-2-4-6-5-3-1;1-2;/h1-6H;1H;/q;-1;.
What are the key properties of benzene;methanone;nickel?
benzene;methanone;nickel has a molecular weight of 165.82 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanone;nickel is sourced from PubChem (CID 174940879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).