copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate

C26H22CuN2O4 — CID 139076745

IUPACcopper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate
SMILESC/C(=N\OCCO/N=C(\C)c1ccc2ccccc2c1[O-])c1ccc2ccccc2c1[O-].[Cu+2]
InChIInChI=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+;
InChIKeySBIHJHLUKXPPPR-GHCZSDNOSA-L
MW490.02 g/mol
LogP4.32
Rot. Bonds7

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 Namecopper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate
PubChem CID139076745
Molecular FormulaC26H22CuN2O4
Molecular Weight490.02 g/mol
Exact Mass489.09
IUPAC Namecopper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate
SMILESC/C(=N\OCCO/N=C(\C)c1ccc2ccccc2c1[O-])c1ccc2ccccc2c1[O-].[Cu+2]
InChIInChI=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+;
InChIKeySBIHJHLUKXPPPR-GHCZSDNOSA-L
XLogP4.32
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.02
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[(E)-N-[3-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]oxypropoxy]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 139076819
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
CID 54706141
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine
CID 43560439
(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
CID 114525509
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline
CID 4171235
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173

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).