2-iminocyclohex-3-en-1-one;nickel

C6H7NNiO — CID 174698832

IUPAC2-iminocyclohex-3-en-1-one;nickel
SMILES[H]/N=C1\C=CCCC1=O.[Ni]
InChIInChI=1S/C6H7NO.Ni/c7-5-3-1-2-4-6(5)8;/h1,3,7H,2,4H2;/b7-5+;
InChIKeyXTGBNFAMLSEUQL-GZOLSCHFSA-N
MW167.82 g/mol
LogP0.92
Rot. Bonds

About 2-iminocyclohex-3-en-1-one;nickel

2-iminocyclohex-3-en-1-one;nickel (PubChem CID 174698832) has the molecular formula C6H7NNiO and a molecular weight of 167.82 g/mol. Its IUPAC name is 2-iminocyclohex-3-en-1-one;nickel.

Molecular Properties

Compound Name2-iminocyclohex-3-en-1-one;nickel
PubChem CID174698832
Molecular FormulaC6H7NNiO
Molecular Weight167.82 g/mol
Exact Mass166.99
IUPAC Name2-iminocyclohex-3-en-1-one;nickel
SMILES[H]/N=C1\C=CCCC1=O.[Ni]
InChIInChI=1S/C6H7NO.Ni/c7-5-3-1-2-4-6(5)8;/h1,3,7H,2,4H2;/b7-5+;
InChIKeyXTGBNFAMLSEUQL-GZOLSCHFSA-N
XLogP0.92
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.82
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iminocyclohex-3-en-1-one;nickel?
The IUPAC name of 2-iminocyclohex-3-en-1-one;nickel (CID 174698832) is 2-iminocyclohex-3-en-1-one;nickel.
What is the SMILES notation for 2-iminocyclohex-3-en-1-one;nickel?
The canonical SMILES for 2-iminocyclohex-3-en-1-one;nickel is [H]/N=C1\C=CCCC1=O.[Ni].
What is the InChIKey of 2-iminocyclohex-3-en-1-one;nickel?
The InChIKey is XTGBNFAMLSEUQL-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H7NO.Ni/c7-5-3-1-2-4-6(5)8;/h1,3,7H,2,4H2;/b7-5+;.
What are the key properties of 2-iminocyclohex-3-en-1-one;nickel?
2-iminocyclohex-3-en-1-one;nickel has a molecular weight of 167.82 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclohex-3-en-1-one;nickel is sourced from PubChem (CID 174698832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).