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

C19H21CoN2O2- — CID 10090287

IUPACcobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILES[CH2-]CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/C19H21N2O2.Co/c1-2-7-17(21-13-16-9-4-6-11-19(16)23)14-20-12-15-8-3-5-10-18(15)22;/h3-6,8-13,17,20-21H,1-2,7,14H2;/q-1;/b15-12-,16-13-;
InChIKeyHVJFQIQVBSWPNR-UUZLJJPRSA-N
MW368.32 g/mol
LogP2.30
Rot. Bonds7

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

cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 10090287) has the molecular formula C19H21CoN2O2- and a molecular weight of 368.32 g/mol. Its IUPAC name is cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID10090287
Molecular FormulaC19H21CoN2O2-
Molecular Weight368.32 g/mol
Exact Mass368.09
IUPAC Namecobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILES[CH2-]CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/C19H21N2O2.Co/c1-2-7-17(21-13-16-9-4-6-11-19(16)23)14-20-12-15-8-3-5-10-18(15)22;/h3-6,8-13,17,20-21H,1-2,7,14H2;/q-1;/b15-12-,16-13-;
InChIKeyHVJFQIQVBSWPNR-UUZLJJPRSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 11012797
(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
bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135
cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5475145
copper;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475599
cobalt;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475602
bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 5475606
cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475607
manganese;(6Z)-6-[[2-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5494066
Cobalt;bis(6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 6793756

Frequently Asked Questions

What is the IUPAC name of cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 10090287) is cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one is [CH2-]CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Co].
What is the InChIKey of cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is HVJFQIQVBSWPNR-UUZLJJPRSA-N. The full InChI is InChI=1S/C19H21N2O2.Co/c1-2-7-17(21-13-16-9-4-6-11-19(16)23)14-20-12-15-8-3-5-10-18(15)22;/h3-6,8-13,17,20-21H,1-2,7,14H2;/q-1;/b15-12-,16-13-;.
What are the key properties of cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one?
cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 368.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10090287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).