About copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate
copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate (PubChem CID 139076745) has the molecular formula C26H22CuN2O4
and a molecular weight of 490.02 g/mol. Its IUPAC name is copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate.
Molecular Properties
| Compound Name | copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate |
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| PubChem CID | 139076745 |
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| Molecular Formula | C26H22CuN2O4 |
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| Molecular Weight | 490.02 g/mol |
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| Exact Mass | 489.09 |
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| IUPAC Name | copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate |
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| SMILES | C/C(=N\OCCO/N=C(\C)c1ccc2ccccc2c1[O-])c1ccc2ccccc2c1[O-].[Cu+2] |
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| InChI | InChI=1S/C26H24N2O4.Cu/c1-17(21-13-11-19-7-3-5-9-23(19)25(21)29)27-31-15-16-32-28-18(2)22-14-12-20-8-4-6-10-24(20)26(22)30;/h3-14,29-30H,15-16H2,1-2H3;/q;+2/p-2/b27-17+,28-18+; |
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| InChIKey | SBIHJHLUKXPPPR-GHCZSDNOSA-L |
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| XLogP | 4.32 |
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| TPSA | 89.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 490.02 |
| LogP ≤ 5 | 4.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate?
The IUPAC name of copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate (CID 139076745) is copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate.
What is the SMILES notation for copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate?
The canonical SMILES for copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate is C/C(=N\OCCO/N=C(\C)c1ccc2ccccc2c1[O-])c1ccc2ccccc2c1[O-].[Cu+2].
What is the InChIKey of copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate?
The InChIKey is SBIHJHLUKXPPPR-GHCZSDNOSA-L. The full InChI is InChI=1S/C26H24N2O4.Cu/c1-17(21-13-11-19-7-3-5-9-23(19)25(21)29)27-31-15-16-32-28-18(2)22-14-12-20-8-4-6-10-24(20)26(22)30;/h3-14,29-30H,15-16H2,1-2H3;/q;+2/p-2/b27-17+,28-18+;.
What are the key properties of copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate?
copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate has a molecular weight of 490.02 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate is sourced from PubChem (CID 139076745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).