copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)

C14H12CuN2O4 — CID 131881800

IUPACcopper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)
SMILESCC1=C/C(=N/[O-])C(=O)C=C1.CC1=C/C(=N/[O-])C(=O)C=C1.[Cu+2]
InChIInChI=1S/2C7H7NO2.Cu/c2*1-5-2-3-7(9)6(4-5)8-10;/h2*2-4,10H,1H3;/q;;+2/p-2/b2*8-6-;
InChIKeyZWGUGMSWHCTUCK-HIGYRTBYSA-L
MW335.81 g/mol
LogP2.02
Rot. Bonds

About copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)

copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one) (PubChem CID 131881800) has the molecular formula C14H12CuN2O4 and a molecular weight of 335.81 g/mol. Its IUPAC name is copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)
PubChem CID131881800
Molecular FormulaC14H12CuN2O4
Molecular Weight335.81 g/mol
Exact Mass335.01
IUPAC Namecopper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)
SMILESCC1=C/C(=N/[O-])C(=O)C=C1.CC1=C/C(=N/[O-])C(=O)C=C1.[Cu+2]
InChIInChI=1S/2C7H7NO2.Cu/c2*1-5-2-3-7(9)6(4-5)8-10;/h2*2-4,10H,1H3;/q;;+2/p-2/b2*8-6-;
InChIKeyZWGUGMSWHCTUCK-HIGYRTBYSA-L
XLogP2.02
TPSA104.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one
CID 101360604
3-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-one
CID 166057582
2-methylcyclohexa-2,5-diene-1,4-dione
CID 141014502
lithium 3,5-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
CID 21239746
potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
CID 21236093
4-methyl-1-oxido-1H-pyridin-1-ium-2-one
CID 87894615
3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 142851442
3,6-dioxocyclohexa-1,4-dien-1-olate
CID 23529530
methane;2-methyl-5-methylidenecyclopenta-1,3-diene
CID 142180985
(4E)-4-methoxyimino-2-methylcyclohexa-2,5-dien-1-one
CID 12654066
(4E)-2-methyl-4-[(2E)-2-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 23542913
[(6Z)-3,4-dimethoxy-6-oxidoiminocyclohexa-2,4-dien-1-ylidene]methanone
CID 101052006

Frequently Asked Questions

What is the IUPAC name of copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)?
The IUPAC name of copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one) (CID 131881800) is copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one) is CC1=C/C(=N/[O-])C(=O)C=C1.CC1=C/C(=N/[O-])C(=O)C=C1.[Cu+2].
What is the InChIKey of copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)?
The InChIKey is ZWGUGMSWHCTUCK-HIGYRTBYSA-L. The full InChI is InChI=1S/2C7H7NO2.Cu/c2*1-5-2-3-7(9)6(4-5)8-10;/h2*2-4,10H,1H3;/q;;+2/p-2/b2*8-6-;.
What are the key properties of copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one)?
copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one) has a molecular weight of 335.81 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((6Z)-4-methyl-6-oxidoiminocyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 131881800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).