copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)

C16H18CuN2O2 — CID 5473425

IUPACcopper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
SMILESCN/C=C1/C=CC=CC1=O.CN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/2C8H9NO.Cu/c2*1-9-6-7-4-2-3-5-8(7)10;/h2*2-6,9H,1H3;/b2*7-6-;
InChIKeyPXHALHQZBZARDH-SVDRMMRJSA-N
MW333.88 g/mol
LogP1.57
Rot. Bonds2

About copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)

copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one) (PubChem CID 5473425) has the molecular formula C16H18CuN2O2 and a molecular weight of 333.88 g/mol. Its IUPAC name is copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
PubChem CID5473425
Molecular FormulaC16H18CuN2O2
Molecular Weight333.88 g/mol
Exact Mass333.07
IUPAC Namecopper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
SMILESCN/C=C1/C=CC=CC1=O.CN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/2C8H9NO.Cu/c2*1-9-6-7-4-2-3-5-8(7)10;/h2*2-6,9H,1H3;/b2*7-6-;
InChIKeyPXHALHQZBZARDH-SVDRMMRJSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 51.57
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
CID 145566153
CID 145566153
nickel;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379012
Copper;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379395
iron;tris((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5379606
iron;tetrakis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one);hydrate
CID 5379608
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-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379739
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
copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propoxy]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379756

Frequently Asked Questions

What is the IUPAC name of copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one) (CID 5473425) is copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one) is CN/C=C1/C=CC=CC1=O.CN/C=C1/C=CC=CC1=O.[Cu].
What is the InChIKey of copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The InChIKey is PXHALHQZBZARDH-SVDRMMRJSA-N. The full InChI is InChI=1S/2C8H9NO.Cu/c2*1-9-6-7-4-2-3-5-8(7)10;/h2*2-6,9H,1H3;/b2*7-6-;.
What are the key properties of copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)?
copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one) has a molecular weight of 333.88 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5473425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).