dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate

C22H26Cu2N4O10 — CID 139056332

IUPACdicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate
SMILESO.O.O.O.O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].c1cnccn1
InChIInChI=1S/2C9H9NO3.C4H4N2.2Cu.4H2O/c2*11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-2-6-4-3-5-1;;;;;;/h2*1-5,11H,6H2,(H,12,13);1-4H;;;4*1H2/q;;;2*+2;;;;/p-4/b2*10-5+;;;;;;;
InChIKeyVZWRERGMSJGYRZ-CRTWBHJOSA-J
MW633.56 g/mol
LogP-4.97
Rot. Bonds6

About dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate

dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate (PubChem CID 139056332) has the molecular formula C22H26Cu2N4O10 and a molecular weight of 633.56 g/mol. Its IUPAC name is dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate.

Molecular Properties

Compound Namedicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate
PubChem CID139056332
Molecular FormulaC22H26Cu2N4O10
Molecular Weight633.56 g/mol
Exact Mass632.02
IUPAC Namedicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate
SMILESO.O.O.O.O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].c1cnccn1
InChIInChI=1S/2C9H9NO3.C4H4N2.2Cu.4H2O/c2*11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-2-6-4-3-5-1;;;;;;/h2*1-5,11H,6H2,(H,12,13);1-4H;;;4*1H2/q;;;2*+2;;;;/p-4/b2*10-5+;;;;;;;
InChIKeyVZWRERGMSJGYRZ-CRTWBHJOSA-J
XLogP-4.97
TPSA302.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.56
LogP ≤ 5-4.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)
CID 139055665
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate?
The IUPAC name of dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate (CID 139056332) is dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate.
What is the SMILES notation for dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate?
The canonical SMILES for dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate is O.O.O.O.O=C([O-])C/N=C/c1ccccc1[O-].O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].[Cu+2].c1cnccn1.
What is the InChIKey of dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate?
The InChIKey is VZWRERGMSJGYRZ-CRTWBHJOSA-J. The full InChI is InChI=1S/2C9H9NO3.C4H4N2.2Cu.4H2O/c2*11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-2-6-4-3-5-1;;;;;;/h2*1-5,11H,6H2,(H,12,13);1-4H;;;4*1H2/q;;;2*+2;;;;/p-4/b2*10-5+;;;;;;;.
What are the key properties of dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate?
dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate has a molecular weight of 633.56 g/mol, XLogP of -4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-[(2-oxidophenyl)methylideneamino]acetate);pyrazine;tetrahydrate is sourced from PubChem (CID 139056332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).