copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)

C22H30Cu2N2O4 — CID 5475125

IUPACcopper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)
SMILESCC(C)(CO)N/C=C1/C=CC=CC1=O.CC(C)(CO)N/C=C1/C=CC=CC1=O.[Cu].[Cu]
InChIInChI=1S/2C11H15NO2.2Cu/c2*1-11(2,8-13)12-7-9-5-3-4-6-10(9)14;;/h2*3-7,12-13H,8H2,1-2H3;;/b2*9-7-;;
InChIKeyKFSFQOBGQSRYAB-XXFXNGOISA-N
MW513.58 g/mol
LogP1.85
Rot. Bonds6

About copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)

copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 5475125) has the molecular formula C22H30Cu2N2O4 and a molecular weight of 513.58 g/mol. Its IUPAC name is copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID5475125
Molecular FormulaC22H30Cu2N2O4
Molecular Weight513.58 g/mol
Exact Mass512.08
IUPAC Namecopper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)
SMILESCC(C)(CO)N/C=C1/C=CC=CC1=O.CC(C)(CO)N/C=C1/C=CC=CC1=O.[Cu].[Cu]
InChIInChI=1S/2C11H15NO2.2Cu/c2*1-11(2,8-13)12-7-9-5-3-4-6-10(9)14;;/h2*3-7,12-13H,8H2,1-2H3;;/b2*9-7-;;
InChIKeyKFSFQOBGQSRYAB-XXFXNGOISA-N
XLogP1.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one) (CID 5475125) is copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one) is CC(C)(CO)N/C=C1/C=CC=CC1=O.CC(C)(CO)N/C=C1/C=CC=CC1=O.[Cu].[Cu].
What is the InChIKey of copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is KFSFQOBGQSRYAB-XXFXNGOISA-N. The full InChI is InChI=1S/2C11H15NO2.2Cu/c2*1-11(2,8-13)12-7-9-5-3-4-6-10(9)14;;/h2*3-7,12-13H,8H2,1-2H3;;/b2*9-7-;;.
What are the key properties of copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one)?
copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 513.58 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5475125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).