N,N'-Ethylenebis(acetylacetoniminato)copper(II)

C12H20CuN2O2 — CID 409582

IUPACcopper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=NCCN=C(C)CC(=O)C)CC(=O)C.[Cu]
InChIInChI=1S/C12H20N2O2.Cu/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;
InChIKeyFKIMHHDMSZFPDR-UHFFFAOYSA-N
MW287.85 g/mol
LogP—
Rot. Bonds

About N,N'-Ethylenebis(acetylacetoniminato)copper(II)

N,N'-Ethylenebis(acetylacetoniminato)copper(II) (PubChem CID 409582) has the molecular formula C12H20CuN2O2 and a molecular weight of 287.85 g/mol. Its IUPAC name is copper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.

Molecular Properties

Compound NameN,N'-Ethylenebis(acetylacetoniminato)copper(II)
PubChem CID409582
Molecular FormulaC12H20CuN2O2
Molecular Weight287.85 g/mol
Exact Mass287.08
IUPAC Namecopper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=NCCN=C(C)CC(=O)C)CC(=O)C.[Cu]
InChIInChI=1S/C12H20N2O2.Cu/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;
InChIKeyFKIMHHDMSZFPDR-UHFFFAOYSA-N
XLogP—
TPSA58.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tin,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis[phenol]-N,N']diethyl-
CID 432412
4-[2-(4-Oxopentan-2-ylideneamino)ethylimino]pentan-2-one;palladium
CID 432662
Copper;1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 409120
Copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
CID 4522960
Copper 1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 24182636
Nickel;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 424180
Copper 4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
CID 54609067
Copper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 24182967
Dichlorocobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 140751594
Copper;4-[2-(4-oxopentan-2-ylideneamino)propylimino]pentan-2-one
CID 409121
Nickel;4-[2-(4-oxopentan-2-ylideneamino)propylimino]pentan-2-one
CID 409122
Copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
CID 3749601

Frequently Asked Questions

What is the IUPAC name of N,N'-Ethylenebis(acetylacetoniminato)copper(II)?
The IUPAC name of N,N'-Ethylenebis(acetylacetoniminato)copper(II) (CID 409582) is copper;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.
What is the SMILES notation for N,N'-Ethylenebis(acetylacetoniminato)copper(II)?
The canonical SMILES for N,N'-Ethylenebis(acetylacetoniminato)copper(II) is CC(=NCCN=C(C)CC(=O)C)CC(=O)C.[Cu].
What is the InChIKey of N,N'-Ethylenebis(acetylacetoniminato)copper(II)?
The InChIKey is FKIMHHDMSZFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.Cu/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;.
What are the key properties of N,N'-Ethylenebis(acetylacetoniminato)copper(II)?
N,N'-Ethylenebis(acetylacetoniminato)copper(II) has a molecular weight of 287.85 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-Ethylenebis(acetylacetoniminato)copper(II) is sourced from PubChem (CID 409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).