cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)

C20H26CoN2O2 — CID 5475607

IUPACcobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESCC(C)N/C=C1/C=CC=CC1=O.CC(C)N/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/2C10H13NO.Co/c2*1-8(2)11-7-9-5-3-4-6-10(9)12;/h2*3-8,11H,1-2H3;/b2*9-7-;
InChIKeyHOCAUMXHWFVIMH-LHSHWCRNSA-N
MW385.37 g/mol
LogP3.12
Rot. Bonds4

About cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)

cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 5475607) has the molecular formula C20H26CoN2O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID5475607
Molecular FormulaC20H26CoN2O2
Molecular Weight385.37 g/mol
Exact Mass385.13
IUPAC Namecobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESCC(C)N/C=C1/C=CC=CC1=O.CC(C)N/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/2C10H13NO.Co/c2*1-8(2)11-7-9-5-3-4-6-10(9)12;/h2*3-8,11H,1-2H3;/b2*9-7-;
InChIKeyHOCAUMXHWFVIMH-LHSHWCRNSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379709
cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379717
copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379744
(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
copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5473425
CID 5473830
CID 5473830
bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
CID 5474159
bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135

Frequently Asked Questions

What is the IUPAC name of cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one) (CID 5475607) is cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one) is CC(C)N/C=C1/C=CC=CC1=O.CC(C)N/C=C1/C=CC=CC1=O.[Co].
What is the InChIKey of cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is HOCAUMXHWFVIMH-LHSHWCRNSA-N. The full InChI is InChI=1S/2C10H13NO.Co/c2*1-8(2)11-7-9-5-3-4-6-10(9)12;/h2*3-8,11H,1-2H3;/b2*9-7-;.
What are the key properties of cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)?
cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 385.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5475607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).