copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

C20H22CuN2O2 — CID 6791225

IUPACcopper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CNC1CCCCC1NC=C1C=CC=CC1=O.[Cu]
InChIInChI=1S/C20H22N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,21-22H,3-4,9-10H2;
InChIKeyTVFBPWQGCWIBTI-UHFFFAOYSA-N
MW385.95 g/mol
LogP2.63
Rot. Bonds4

About copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 6791225) has the molecular formula C20H22CuN2O2 and a molecular weight of 385.95 g/mol. Its IUPAC name is copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecopper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID6791225
Molecular FormulaC20H22CuN2O2
Molecular Weight385.95 g/mol
Exact Mass385.10
IUPAC Namecopper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CNC1CCCCC1NC=C1C=CC=CC1=O.[Cu]
InChIInChI=1S/C20H22N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,21-22H,3-4,9-10H2;
InChIKeyTVFBPWQGCWIBTI-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.95
LogP ≤ 52.63
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

Copper;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379395
copper;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475599
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
CID 5475779
nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5476037
copper;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5476039
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5476040
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5477198
6-[[2-[(6-Oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one;oxovanadium
CID 6798101
Nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 6812802
Cobalt;2,4-ditert-butyl-6-[[[2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 6824743
Copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 6826571
Copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 6841828

Frequently Asked Questions

What is the IUPAC name of copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 6791225) is copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1=CNC1CCCCC1NC=C1C=CC=CC1=O.[Cu].
What is the InChIKey of copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is TVFBPWQGCWIBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,21-22H,3-4,9-10H2;.
What are the key properties of copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 385.95 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 6791225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).