copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate

C18H18CuN2O2 — CID 139055561

IUPACcopper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate
SMILESCC(C)(C/N=C/c1ccccc1[O-])/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C18H20N2O2.Cu/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;/h3-12,21-22H,13H2,1-2H3;/q;+2/p-2/b19-11+,20-12+;
InChIKeyDGQYSFRAUYAKFK-BYCVLTJGSA-L
MW357.90 g/mol
LogP2.15
Rot. Bonds5

About copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate

copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate (PubChem CID 139055561) has the molecular formula C18H18CuN2O2 and a molecular weight of 357.90 g/mol. Its IUPAC name is copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate.

Molecular Properties

Compound Namecopper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate
PubChem CID139055561
Molecular FormulaC18H18CuN2O2
Molecular Weight357.90 g/mol
Exact Mass357.07
IUPAC Namecopper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate
SMILESCC(C)(C/N=C/c1ccccc1[O-])/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C18H20N2O2.Cu/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;/h3-12,21-22H,13H2,1-2H3;/q;+2/p-2/b19-11+,20-12+;
InChIKeyDGQYSFRAUYAKFK-BYCVLTJGSA-L
XLogP2.15
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate?
The IUPAC name of copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate (CID 139055561) is copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate.
What is the SMILES notation for copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate?
The canonical SMILES for copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate is CC(C)(C/N=C/c1ccccc1[O-])/N=C/c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate?
The InChIKey is DGQYSFRAUYAKFK-BYCVLTJGSA-L. The full InChI is InChI=1S/C18H20N2O2.Cu/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;/h3-12,21-22H,13H2,1-2H3;/q;+2/p-2/b19-11+,20-12+;.
What are the key properties of copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate?
copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate has a molecular weight of 357.90 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate is sourced from PubChem (CID 139055561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).