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

C22H30CuN2O2 — CID 5474159

IUPACbis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
SMILESCCCCN/C=C1/C=CC=CC1=O.CCCCN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/2C11H15NO.Cu/c2*1-2-3-8-12-9-10-6-4-5-7-11(10)13;/h2*4-7,9,12H,2-3,8H2,1H3;/b2*10-9-;
InChIKeySZHIUVLJPNYDPS-CVBJKYQLSA-N
MW418.04 g/mol
LogP3.91
Rot. Bonds8

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

bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper (PubChem CID 5474159) has the molecular formula C22H30CuN2O2 and a molecular weight of 418.04 g/mol. Its IUPAC name is bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper.

Molecular Properties

Compound Namebis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
PubChem CID5474159
Molecular FormulaC22H30CuN2O2
Molecular Weight418.04 g/mol
Exact Mass417.16
IUPAC Namebis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
SMILESCCCCN/C=C1/C=CC=CC1=O.CCCCN/C=C1/C=CC=CC1=O.[Cu]
InChIInChI=1S/2C11H15NO.Cu/c2*1-2-3-8-12-9-10-6-4-5-7-11(10)13;/h2*4-7,9,12H,2-3,8H2,1H3;/b2*10-9-;
InChIKeySZHIUVLJPNYDPS-CVBJKYQLSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.04
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379704
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-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379711
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 bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper?
The IUPAC name of bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper (CID 5474159) is bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper.
What is the SMILES notation for bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper?
The canonical SMILES for bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper is CCCCN/C=C1/C=CC=CC1=O.CCCCN/C=C1/C=CC=CC1=O.[Cu].
What is the InChIKey of bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper?
The InChIKey is SZHIUVLJPNYDPS-CVBJKYQLSA-N. The full InChI is InChI=1S/2C11H15NO.Cu/c2*1-2-3-8-12-9-10-6-4-5-7-11(10)13;/h2*4-7,9,12H,2-3,8H2,1H3;/b2*10-9-;.
What are the key properties of bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper?
bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper has a molecular weight of 418.04 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper is sourced from PubChem (CID 5474159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).