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

C17H18CuN2O2 — CID 6826571

IUPACcopper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESCC(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.[Cu]
InChIInChI=1S/C17H18N2O2.Cu/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;/h2-9,11-13,18-19H,10H2,1H3;
InChIKeyYGXMRFZAOSHBLZ-UHFFFAOYSA-N
MW345.89 g/mol
LogP1.71
Rot. Bonds5

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

copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 6826571) has the molecular formula C17H18CuN2O2 and a molecular weight of 345.89 g/mol. Its IUPAC name is copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecopper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID6826571
Molecular FormulaC17H18CuN2O2
Molecular Weight345.89 g/mol
Exact Mass345.07
IUPAC Namecopper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESCC(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.[Cu]
InChIInChI=1S/C17H18N2O2.Cu/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;/h2-9,11-13,18-19H,10H2,1H3;
InChIKeyYGXMRFZAOSHBLZ-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 51.71
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

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
copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5473425
CID 5473830
CID 5473830
bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
CID 5474159
bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135
copper;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475136

Frequently Asked Questions

What is the IUPAC name of copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 6826571) is copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one is CC(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.[Cu].
What is the InChIKey of copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is YGXMRFZAOSHBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.Cu/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;/h2-9,11-13,18-19H,10H2,1H3;.
What are the key properties of copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
copper;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 345.89 g/mol, XLogP of 1.71, 5 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]propylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 6826571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).