4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium

C12H22N2O2Pd+2 — CID 4578431

IUPAC4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium
SMILES[H]/[O+]=C(\C)C/C(C)=N/CC/N=C(\C)C/C(C)=[O+]/[H].[Pd]
InChIInChI=1S/C12H20N2O2.Pd/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;/p+2/b13-9+,14-10+;
InChIKeyQHCQUABFPPHIIW-ALGRVRKVSA-P
MW332.74 g/mol
LogP1.82
Rot. Bonds7

About 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium

4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium (PubChem CID 4578431) has the molecular formula C12H22N2O2Pd+2 and a molecular weight of 332.74 g/mol. Its IUPAC name is 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium.

Molecular Properties

Compound Name4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium
PubChem CID4578431
Molecular FormulaC12H22N2O2Pd+2
Molecular Weight332.74 g/mol
Exact Mass332.07
IUPAC Name4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium
SMILES[H]/[O+]=C(\C)C/C(C)=N/CC/N=C(\C)C/C(C)=[O+]/[H].[Pd]
InChIInChI=1S/C12H20N2O2.Pd/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;/p+2/b13-9+,14-10+;
InChIKeyQHCQUABFPPHIIW-ALGRVRKVSA-P
XLogP1.82
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Ethylenebis(acetylacetoniminato)copper(II)
CID 409582
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-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
CID 4522960
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
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
Nickel;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
CID 3758270
Beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium
CID 3931425

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium?
The IUPAC name of 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium (CID 4578431) is 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium.
What is the SMILES notation for 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium?
The canonical SMILES for 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium is [H]/[O+]=C(\C)C/C(C)=N/CC/N=C(\C)C/C(C)=[O+]/[H].[Pd].
What is the InChIKey of 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium?
The InChIKey is QHCQUABFPPHIIW-ALGRVRKVSA-P. The full InChI is InChI=1S/C12H20N2O2.Pd/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h5-8H2,1-4H3;/p+2/b13-9+,14-10+;.
What are the key properties of 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium?
4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium has a molecular weight of 332.74 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-oxoniumylidenepentan-2-ylideneamino)ethylimino]pentan-2-ylideneoxidanium;palladium is sourced from PubChem (CID 4578431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).