cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone

C22H24CoN2O6 — CID 155649862

IUPACcobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone
SMILESOc1cccc(/C=N/C2CCCCC2/N=C/c2cccc(O)c2O)c1O.[CH-]=O.[CH-]=O.[Co+2]
InChIInChI=1S/C20H22N2O4.2CHO.Co/c23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26;2*1-2;/h3-6,9-12,15-16,23-26H,1-2,7-8H2;2*1H;/q;2*-1;+2/b21-11+,22-12+;;;
InChIKeyYBWLVEHHYHHJSA-ORHQLOIBSA-N
MW471.38 g/mol
LogP2.81
Rot. Bonds4

About cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone

cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone (PubChem CID 155649862) has the molecular formula C22H24CoN2O6 and a molecular weight of 471.38 g/mol. Its IUPAC name is cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone.

Molecular Properties

Compound Namecobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone
PubChem CID155649862
Molecular FormulaC22H24CoN2O6
Molecular Weight471.38 g/mol
Exact Mass471.10
IUPAC Namecobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone
SMILESOc1cccc(/C=N/C2CCCCC2/N=C/c2cccc(O)c2O)c1O.[CH-]=O.[CH-]=O.[Co+2]
InChIInChI=1S/C20H22N2O4.2CHO.Co/c23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26;2*1-2;/h3-6,9-12,15-16,23-26H,1-2,7-8H2;2*1H;/q;2*-1;+2/b21-11+,22-12+;;;
InChIKeyYBWLVEHHYHHJSA-ORHQLOIBSA-N
XLogP2.81
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone with MolForge

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Related Compounds

2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
bis(2-[[4-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-hydroxyphenolate);2-hydroxy-6-[[4-[(3-hydroxy-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;titanium
CID 135987887
1-(2-phosphanylphenyl)-N-[(1S,2S)-2-[(2-phosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 135032202
2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
CID 135513792
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
CID 159587394
2,4-ditert-butyl-6-[[(1R,2R)-2-[[2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136870308
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
2-[2-[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]ethyliminomethyl]phenol
CID 136673148

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone?
The IUPAC name of cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone (CID 155649862) is cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone.
What is the SMILES notation for cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone?
The canonical SMILES for cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone is Oc1cccc(/C=N/C2CCCCC2/N=C/c2cccc(O)c2O)c1O.[CH-]=O.[CH-]=O.[Co+2].
What is the InChIKey of cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone?
The InChIKey is YBWLVEHHYHHJSA-ORHQLOIBSA-N. The full InChI is InChI=1S/C20H22N2O4.2CHO.Co/c23-17-9-3-5-13(19(17)25)11-21-15-7-1-2-8-16(15)22-12-14-6-4-10-18(24)20(14)26;2*1-2;/h3-6,9-12,15-16,23-26H,1-2,7-8H2;2*1H;/q;2*-1;+2/b21-11+,22-12+;;;.
What are the key properties of cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone?
cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone has a molecular weight of 471.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone is sourced from PubChem (CID 155649862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).