copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium

C13H24CuN2O2+2 — CID 50910390

IUPACcopper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
SMILES[Cu].[H]/[O+]=C(\C)C/C(C)=N/CC(C)/N=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/C13H22N2O2.Cu/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17;/h11H,6-8H2,1-5H3;/p+2/b14-9+,15-10+;
InChIKeyHKQGLMHJLFHQRJ-ZDDKITRRSA-P
MW303.89 g/mol
LogP2.20
Rot. Bonds7

About copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium

copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium (PubChem CID 50910390) has the molecular formula C13H24CuN2O2+2 and a molecular weight of 303.89 g/mol. Its IUPAC name is copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium.

Molecular Properties

Compound Namecopper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
PubChem CID50910390
Molecular FormulaC13H24CuN2O2+2
Molecular Weight303.89 g/mol
Exact Mass303.11
IUPAC Namecopper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
SMILES[Cu].[H]/[O+]=C(\C)C/C(C)=N/CC(C)/N=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/C13H22N2O2.Cu/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17;/h11H,6-8H2,1-5H3;/p+2/b14-9+,15-10+;
InChIKeyHKQGLMHJLFHQRJ-ZDDKITRRSA-P
XLogP2.20
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.89
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(4-Oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 138721
4-[2-(4-Oxopentan-2-ylideneamino)propylimino]pentan-2-one
CID 294413
4,6,9-Trimethyl-5,8-diaza-4,8-dodecadiene-2,3,10,11-tetraone
CID 129731668
Copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
CID 50918248
4-[4-(4-Oxopentan-2-ylideneamino)butylimino]pentan-2-one
CID 227168
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
4-Butan-2-yliminopentan-2-one
CID 53910879
3-[3-(2-Oxopentan-3-ylideneamino)propylimino]pentan-2-one
CID 57263463
Cobalt;4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 88194660
4-[1-(4-Oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 154096286
4-[3-(4-Oxopentan-2-ylideneamino)propylimino]pentan-2-one
CID 239146

Frequently Asked Questions

What is the IUPAC name of copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium?
The IUPAC name of copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium (CID 50910390) is copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium.
What is the SMILES notation for copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium?
The canonical SMILES for copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium is [Cu].[H]/[O+]=C(\C)C/C(C)=N/CC(C)/N=C(\C)C/C(C)=[O+]/[H].
What is the InChIKey of copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium?
The InChIKey is HKQGLMHJLFHQRJ-ZDDKITRRSA-P. The full InChI is InChI=1S/C13H22N2O2.Cu/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17;/h11H,6-8H2,1-5H3;/p+2/b14-9+,15-10+;.
What are the key properties of copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium?
copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium has a molecular weight of 303.89 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium is sourced from PubChem (CID 50910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).