copper ethanimidate

C4H8CuN2O2 — CID 159106233

IUPACcopper ethanimidate
SMILES[Cu+2].[H]/N=C(\C)[O-].[H]/N=C(\C)[O-]
InChIInChI=1S/2C2H5NO.Cu/c2*1-2(3)4;/h2*1H3,(H2,3,4);/q;;+2/p-2
InChIKeyKDXPTTBEEGFREG-UHFFFAOYSA-L
MW179.67 g/mol
LogP-1.31
Rot. Bonds

About copper ethanimidate

copper ethanimidate (PubChem CID 159106233) has the molecular formula C4H8CuN2O2 and a molecular weight of 179.67 g/mol. Its IUPAC name is copper ethanimidate.

Molecular Properties

Compound Namecopper ethanimidate
PubChem CID159106233
Molecular FormulaC4H8CuN2O2
Molecular Weight179.67 g/mol
Exact Mass178.99
IUPAC Namecopper ethanimidate
SMILES[Cu+2].[H]/N=C(\C)[O-].[H]/N=C(\C)[O-]
InChIInChI=1S/2C2H5NO.Cu/c2*1-2(3)4;/h2*1H3,(H2,3,4);/q;;+2/p-2
InChIKeyKDXPTTBEEGFREG-UHFFFAOYSA-L
XLogP-1.31
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper ethanimidate?
The IUPAC name of copper ethanimidate (CID 159106233) is copper ethanimidate.
What is the SMILES notation for copper ethanimidate?
The canonical SMILES for copper ethanimidate is [Cu+2].[H]/N=C(\C)[O-].[H]/N=C(\C)[O-].
What is the InChIKey of copper ethanimidate?
The InChIKey is KDXPTTBEEGFREG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H5NO.Cu/c2*1-2(3)4;/h2*1H3,(H2,3,4);/q;;+2/p-2.
What are the key properties of copper ethanimidate?
copper ethanimidate has a molecular weight of 179.67 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper ethanimidate is sourced from PubChem (CID 159106233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).