copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one

C12H18CuN2O2 — CID 154702785

IUPACcopper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=O)[CH-]/C(C)=N/CC/N=C(\C)[CH-]C(C)=O.[Cu+2]
InChIInChI=1S/C12H18N2O2.Cu/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h7-8H,5-6H2,1-4H3;/q-2;+2/b13-9+,14-10+;
InChIKeyXQZXXCLDPWAEHI-ALGRVRKVSA-N
MW285.83 g/mol
LogP1.49
Rot. Bonds7

About copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one

copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one (PubChem CID 154702785) has the molecular formula C12H18CuN2O2 and a molecular weight of 285.83 g/mol. Its IUPAC name is copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.

Molecular Properties

Compound Namecopper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
PubChem CID154702785
Molecular FormulaC12H18CuN2O2
Molecular Weight285.83 g/mol
Exact Mass285.07
IUPAC Namecopper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=O)[CH-]/C(C)=N/CC/N=C(\C)[CH-]C(C)=O.[Cu+2]
InChIInChI=1S/C12H18N2O2.Cu/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h7-8H,5-6H2,1-4H3;/q-2;+2/b13-9+,14-10+;
InChIKeyXQZXXCLDPWAEHI-ALGRVRKVSA-N
XLogP1.49
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The IUPAC name of copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one (CID 154702785) is copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.
What is the SMILES notation for copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The canonical SMILES for copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one is CC(=O)[CH-]/C(C)=N/CC/N=C(\C)[CH-]C(C)=O.[Cu+2].
What is the InChIKey of copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The InChIKey is XQZXXCLDPWAEHI-ALGRVRKVSA-N. The full InChI is InChI=1S/C12H18N2O2.Cu/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h7-8H,5-6H2,1-4H3;/q-2;+2/b13-9+,14-10+;.
What are the key properties of copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one has a molecular weight of 285.83 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one is sourced from PubChem (CID 154702785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).