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

C18H22CuN2O2 — CID 5476649

IUPACcopper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)
SMILESCCN/C=C1/C=CC=CC1=O.CCN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/2C9H11NO.Cu/c2*1-2-10-7-8-5-3-4-6-9(8)11;/h2*3-7,10H,2H2,1H3;/b2*8-7-;
InChIKeyCILCNDVSASKITK-ATMONBRVSA-N
MW361.93 g/mol
LogP2.35
Rot. Bonds4

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

copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one) (PubChem CID 5476649) has the molecular formula C18H22CuN2O2 and a molecular weight of 361.93 g/mol. Its IUPAC name is copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)
PubChem CID5476649
Molecular FormulaC18H22CuN2O2
Molecular Weight361.93 g/mol
Exact Mass361.10
IUPAC Namecopper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)
SMILESCCN/C=C1/C=CC=CC1=O.CCN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/2C9H11NO.Cu/c2*1-2-10-7-8-5-3-4-6-9(8)11;/h2*3-7,10H,2H2,1H3;/b2*8-7-;
InChIKeyCILCNDVSASKITK-ATMONBRVSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.93
LogP ≤ 52.35
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

CID 11012797
CID 11012797
Disodium;carbanide;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 59977943
bis((6Z)-6-[[2,2-bis(methylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5378623
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-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one) (CID 5476649) is copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one) is CCN/C=C1/C=CC=CC1=O.CCN/C=C1/C=CC=CC1=O.[Cu].
What is the InChIKey of copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The InChIKey is CILCNDVSASKITK-ATMONBRVSA-N. The full InChI is InChI=1S/2C9H11NO.Cu/c2*1-2-10-7-8-5-3-4-6-9(8)11;/h2*3-7,10H,2H2,1H3;/b2*8-7-;.
What are the key properties of copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one)?
copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one) has a molecular weight of 361.93 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5476649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).