copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one

C18H20CuN2O2 — CID 5477367

IUPACcopper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one
SMILESC/C(NCCN/C(C)=C1/C=CC=CC1=O)=C1\C=CC=CC1=O.[Cu]
InChIInChI=1S/C18H20N2O2.Cu/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22;/h3-10,19-20H,11-12H2,1-2H3;/b15-13-,16-14-;
InChIKeyZXLDYJLIVLQWLP-MWEBDPMNSA-N
MW359.92 g/mol
LogP2.10
Rot. Bonds5

About copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one

copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5477367) has the molecular formula C18H20CuN2O2 and a molecular weight of 359.92 g/mol. Its IUPAC name is copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecopper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one
PubChem CID5477367
Molecular FormulaC18H20CuN2O2
Molecular Weight359.92 g/mol
Exact Mass359.08
IUPAC Namecopper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one
SMILESC/C(NCCN/C(C)=C1/C=CC=CC1=O)=C1\C=CC=CC1=O.[Cu]
InChIInChI=1S/C18H20N2O2.Cu/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22;/h3-10,19-20H,11-12H2,1-2H3;/b15-13-,16-14-;
InChIKeyZXLDYJLIVLQWLP-MWEBDPMNSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 52.10
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'}

Analyze copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

nickel;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379012
Cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379363
Copper;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379395
6-[[[2-Methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;palladium
CID 5379751
manganese;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462841
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462857
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5473387
CID 5473830
CID 5473830
copper;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475136
bis((6Z)-6-[(tert-butylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475597
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
CID 5475779
(6Z)-6-[[[2-methyl-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
CID 5475780

Frequently Asked Questions

What is the IUPAC name of copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one (CID 5477367) is copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one is C/C(NCCN/C(C)=C1/C=CC=CC1=O)=C1\C=CC=CC1=O.[Cu].
What is the InChIKey of copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is ZXLDYJLIVLQWLP-MWEBDPMNSA-N. The full InChI is InChI=1S/C18H20N2O2.Cu/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22;/h3-10,19-20H,11-12H2,1-2H3;/b15-13-,16-14-;.
What are the key properties of copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one?
copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 359.92 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5477367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).