cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one

C21H24CoN2O2 — CID 10500767

IUPACcobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESC=C(C)CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/C21H24N2O2.Co/c1-16(2)11-12-19(23-14-18-8-4-6-10-21(18)25)15-22-13-17-7-3-5-9-20(17)24;/h3-10,13-14,19,22-23H,1,11-12,15H2,2H3;/b17-13-,18-14-;
InChIKeyXVKKLULWILRLJM-UEDAPAAGSA-N
MW395.37 g/mol
LogP3.05
Rot. Bonds8

About cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one

cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 10500767) has the molecular formula C21H24CoN2O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID10500767
Molecular FormulaC21H24CoN2O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Namecobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESC=C(C)CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/C21H24N2O2.Co/c1-16(2)11-12-19(23-14-18-8-4-6-10-21(18)25)15-22-13-17-7-3-5-9-20(17)24;/h3-10,13-14,19,22-23H,1,11-12,15H2,2H3;/b17-13-,18-14-;
InChIKeyXVKKLULWILRLJM-UEDAPAAGSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one with MolForge

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Launch Full Analysis

Related Compounds

(6Z,6'Z)-6,6'-((1R,2R)-Cyclohexane-1,2-diylbis(azanediyl(Z)methanylylidene))bis(2,4-di-tert-butylcyclohexa-2,4-dien-1-one)--cobalt (1/1)
CID 11135788
N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 11012797
Disodium;carbanide;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 59977943
N-[2-[4-[(E)-2-methylbut-2-enyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 143375426
(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane
CID 169153112
cobalt;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379711
(6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5385183
cobalt;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475602
cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475607
Cobalt;bis(6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 6811336
Cobalt;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 6821955
Cobalt;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 6834219

Frequently Asked Questions

What is the IUPAC name of cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 10500767) is cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one is C=C(C)CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Co].
What is the InChIKey of cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is XVKKLULWILRLJM-UEDAPAAGSA-N. The full InChI is InChI=1S/C21H24N2O2.Co/c1-16(2)11-12-19(23-14-18-8-4-6-10-21(18)25)15-22-13-17-7-3-5-9-20(17)24;/h3-10,13-14,19,22-23H,1,11-12,15H2,2H3;/b17-13-,18-14-;.
What are the key properties of cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 395.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(6Z)-6-[[[5-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-5-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10500767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).