copper (E)-N-oxido-1-phenylmethanimine

C7H6CuNO+ — CID 146166650

IUPACcopper (E)-N-oxido-1-phenylmethanimine
SMILES[Cu+2].[O-]/N=C/c1ccccc1
InChIInChI=1S/C7H7NO.Cu/c9-8-6-7-4-2-1-3-5-7;/h1-6,9H;/q;+2/p-1/b8-6+;
InChIKeyIBQMHRLSYCFMJO-WVLIHFOGSA-M
MW183.68 g/mol
LogP1.60
Rot. Bonds1

About copper (E)-N-oxido-1-phenylmethanimine

copper (E)-N-oxido-1-phenylmethanimine (PubChem CID 146166650) has the molecular formula C7H6CuNO+ and a molecular weight of 183.68 g/mol. Its IUPAC name is copper (E)-N-oxido-1-phenylmethanimine.

Molecular Properties

Compound Namecopper (E)-N-oxido-1-phenylmethanimine
PubChem CID146166650
Molecular FormulaC7H6CuNO+
Molecular Weight183.68 g/mol
Exact Mass182.97
IUPAC Namecopper (E)-N-oxido-1-phenylmethanimine
SMILES[Cu+2].[O-]/N=C/c1ccccc1
InChIInChI=1S/C7H7NO.Cu/c9-8-6-7-4-2-1-3-5-7;/h1-6,9H;/q;+2/p-1/b8-6+;
InChIKeyIBQMHRLSYCFMJO-WVLIHFOGSA-M
XLogP1.60
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-oxido-1-phenylmethanimine
CID 3712496
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N,1-diphenylmethanimine
CID 10858
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine
CID 59973054
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
CID 171375297
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
(benzylideneamino)-oxosulfanium
CID 172739102
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium
CID 162004220

Frequently Asked Questions

What is the IUPAC name of copper (E)-N-oxido-1-phenylmethanimine?
The IUPAC name of copper (E)-N-oxido-1-phenylmethanimine (CID 146166650) is copper (E)-N-oxido-1-phenylmethanimine.
What is the SMILES notation for copper (E)-N-oxido-1-phenylmethanimine?
The canonical SMILES for copper (E)-N-oxido-1-phenylmethanimine is [Cu+2].[O-]/N=C/c1ccccc1.
What is the InChIKey of copper (E)-N-oxido-1-phenylmethanimine?
The InChIKey is IBQMHRLSYCFMJO-WVLIHFOGSA-M. The full InChI is InChI=1S/C7H7NO.Cu/c9-8-6-7-4-2-1-3-5-7;/h1-6,9H;/q;+2/p-1/b8-6+;.
What are the key properties of copper (E)-N-oxido-1-phenylmethanimine?
copper (E)-N-oxido-1-phenylmethanimine has a molecular weight of 183.68 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper (E)-N-oxido-1-phenylmethanimine is sourced from PubChem (CID 146166650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).