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

C20H25CoN2O2- — CID 10339852

IUPACbutane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.[CH2-]CCC.[Co]
InChIInChI=1S/C16H16N2O2.C4H9.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;1-3-4-2;/h1-8,11-12,17-18H,9-10H2;1,3-4H2,2H3;/q;-1;/b13-11-,14-12-;;
InChIKeyOLQNWWQYCYIAEA-MVGPTFNUSA-N
MW384.36 g/mol
LogP2.94
Rot. Bonds6

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

butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 10339852) has the molecular formula C20H25CoN2O2- and a molecular weight of 384.36 g/mol. Its IUPAC name is butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namebutane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID10339852
Molecular FormulaC20H25CoN2O2-
Molecular Weight384.36 g/mol
Exact Mass384.13
IUPAC Namebutane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.[CH2-]CCC.[Co]
InChIInChI=1S/C16H16N2O2.C4H9.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;1-3-4-2;/h1-8,11-12,17-18H,9-10H2;1,3-4H2,2H3;/q;-1;/b13-11-,14-12-;;
InChIKeyOLQNWWQYCYIAEA-MVGPTFNUSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 11012797
(6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)
CID 58747588
Disodium;carbanide;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 59977943
3-methyl-2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
CID 69973382
3,7-Dimethyl-1,8-dihydro-1,7-naphthyridin-4-one;ethane
CID 141787654
4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane
CID 161162845
nickel;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379012
Cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379363
iron;tris((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5379606
(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
manganese;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462841
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462857

Frequently Asked Questions

What is the IUPAC name of butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 10339852) is butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.[CH2-]CCC.[Co].
What is the InChIKey of butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is OLQNWWQYCYIAEA-MVGPTFNUSA-N. The full InChI is InChI=1S/C16H16N2O2.C4H9.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;1-3-4-2;/h1-8,11-12,17-18H,9-10H2;1,3-4H2,2H3;/q;-1;/b13-11-,14-12-;;.
What are the key properties of butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 384.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10339852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).