copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)

C18H22CuN2O4 — CID 5474162

IUPACcopper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C/NCCO.O=C1C=CC=C/C1=C/NCCO.[Cu]
InChIInChI=1S/2C9H11NO2.Cu/c2*11-6-5-10-7-8-3-1-2-4-9(8)12;/h2*1-4,7,10-11H,5-6H2;/b2*8-7-;
InChIKeyGAFBPJKWVNVBGL-ATMONBRVSA-N
MW393.93 g/mol
LogP0.29
Rot. Bonds6

About copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)

copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 5474162) has the molecular formula C18H22CuN2O4 and a molecular weight of 393.93 g/mol. Its IUPAC name is copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID5474162
Molecular FormulaC18H22CuN2O4
Molecular Weight393.93 g/mol
Exact Mass393.09
IUPAC Namecopper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C/NCCO.O=C1C=CC=C/C1=C/NCCO.[Cu]
InChIInChI=1S/2C9H11NO2.Cu/c2*11-6-5-10-7-8-3-1-2-4-9(8)12;/h2*1-4,7,10-11H,5-6H2;/b2*8-7-;
InChIKeyGAFBPJKWVNVBGL-ATMONBRVSA-N
XLogP0.29
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.93
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one) (CID 5474162) is copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one) is O=C1C=CC=C/C1=C/NCCO.O=C1C=CC=C/C1=C/NCCO.[Cu].
What is the InChIKey of copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is GAFBPJKWVNVBGL-ATMONBRVSA-N. The full InChI is InChI=1S/2C9H11NO2.Cu/c2*11-6-5-10-7-8-3-1-2-4-9(8)12;/h2*1-4,7,10-11H,5-6H2;/b2*8-7-;.
What are the key properties of copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one)?
copper;bis((6Z)-6-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 393.93 g/mol, XLogP of 0.29, 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-[(2-hydroxyethylamino)methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5474162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).