copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine

C15H15CuN3O3 — CID 139055665

IUPACcopper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine
SMILESCC(C)(/N=C/c1ccccc1[O-])C(=O)[O-].[Cu+2].c1cnccn1
InChIInChI=1S/C11H13NO3.C4H4N2.Cu/c1-11(2,10(14)15)12-7-8-5-3-4-6-9(8)13;1-2-6-4-3-5-1;/h3-7,13H,1-2H3,(H,14,15);1-4H;/q;;+2/p-2/b12-7+;;
InChIKeyGLJFGHBRTYDUQD-CURPJKDSSA-L
MW348.85 g/mol
LogP0.18
Rot. Bonds3

About copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine

copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine (PubChem CID 139055665) has the molecular formula C15H15CuN3O3 and a molecular weight of 348.85 g/mol. Its IUPAC name is copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine.

Molecular Properties

Compound Namecopper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine
PubChem CID139055665
Molecular FormulaC15H15CuN3O3
Molecular Weight348.85 g/mol
Exact Mass348.04
IUPAC Namecopper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine
SMILESCC(C)(/N=C/c1ccccc1[O-])C(=O)[O-].[Cu+2].c1cnccn1
InChIInChI=1S/C11H13NO3.C4H4N2.Cu/c1-11(2,10(14)15)12-7-8-5-3-4-6-9(8)13;1-2-6-4-3-5-1;/h3-7,13H,1-2H3,(H,14,15);1-4H;/q;;+2/p-2/b12-7+;;
InChIKeyGLJFGHBRTYDUQD-CURPJKDSSA-L
XLogP0.18
TPSA101.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

mu-Pyrazine-N:N'-bis[aqua(N-salicylideneglycinato-O,N,O')copper(II)] dihydrate
CID 139056332

Frequently Asked Questions

What is the IUPAC name of copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine?
The IUPAC name of copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine (CID 139055665) is copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine.
What is the SMILES notation for copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine?
The canonical SMILES for copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine is CC(C)(/N=C/c1ccccc1[O-])C(=O)[O-].[Cu+2].c1cnccn1.
What is the InChIKey of copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine?
The InChIKey is GLJFGHBRTYDUQD-CURPJKDSSA-L. The full InChI is InChI=1S/C11H13NO3.C4H4N2.Cu/c1-11(2,10(14)15)12-7-8-5-3-4-6-9(8)13;1-2-6-4-3-5-1;/h3-7,13H,1-2H3,(H,14,15);1-4H;/q;;+2/p-2/b12-7+;;.
What are the key properties of copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine?
copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine has a molecular weight of 348.85 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-methyl-2-[(2-oxidophenyl)methylideneamino]propanoate;pyrazine is sourced from PubChem (CID 139055665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).