zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)

C20H20N2O8Zn — CID 68766995

IUPACzinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)
SMILESO=C([O-])C/N=C/Cc1cc(O)ccc1O.O=C([O-])C/N=C/Cc1cc(O)ccc1O.[Zn+2]
InChIInChI=1S/2C10H11NO4.Zn/c2*12-8-1-2-9(13)7(5-8)3-4-11-6-10(14)15;/h2*1-2,4-5,12-13H,3,6H2,(H,14,15);/q;;+2/p-2/b2*11-4+;
InChIKeyPECNLSQGGMYDLZ-MEKCNCLGSA-L
MW481.78 g/mol
LogP-1.08
Rot. Bonds8

About zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)

zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate) (PubChem CID 68766995) has the molecular formula C20H20N2O8Zn and a molecular weight of 481.78 g/mol. Its IUPAC name is zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate).

Molecular Properties

Compound Namezinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)
PubChem CID68766995
Molecular FormulaC20H20N2O8Zn
Molecular Weight481.78 g/mol
Exact Mass480.05
IUPAC Namezinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)
SMILESO=C([O-])C/N=C/Cc1cc(O)ccc1O.O=C([O-])C/N=C/Cc1cc(O)ccc1O.[Zn+2]
InChIInChI=1S/2C10H11NO4.Zn/c2*12-8-1-2-9(13)7(5-8)3-4-11-6-10(14)15;/h2*1-2,4-5,12-13H,3,6H2,(H,14,15);/q;;+2/p-2/b2*11-4+;
InChIKeyPECNLSQGGMYDLZ-MEKCNCLGSA-L
XLogP-1.08
TPSA185.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.78
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)?
The IUPAC name of zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate) (CID 68766995) is zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate).
What is the SMILES notation for zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)?
The canonical SMILES for zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate) is O=C([O-])C/N=C/Cc1cc(O)ccc1O.O=C([O-])C/N=C/Cc1cc(O)ccc1O.[Zn+2].
What is the InChIKey of zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)?
The InChIKey is PECNLSQGGMYDLZ-MEKCNCLGSA-L. The full InChI is InChI=1S/2C10H11NO4.Zn/c2*12-8-1-2-9(13)7(5-8)3-4-11-6-10(14)15;/h2*1-2,4-5,12-13H,3,6H2,(H,14,15);/q;;+2/p-2/b2*11-4+;.
What are the key properties of zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate)?
zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate) has a molecular weight of 481.78 g/mol, XLogP of -1.08, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-[2-(2,5-dihydroxyphenyl)ethylideneamino]acetate) is sourced from PubChem (CID 68766995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).