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

C22H30CuN2O4 — CID 5475129

IUPACcopper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C/NCCCCO.O=C1C=CC=C/C1=C/NCCCCO.[Cu]
InChIInChI=1S/2C11H15NO2.Cu/c2*13-8-4-3-7-12-9-10-5-1-2-6-11(10)14;/h2*1-2,5-6,9,12-13H,3-4,7-8H2;/b2*10-9-;
InChIKeyWSEYUGNZKZKVLK-CVBJKYQLSA-N
MW450.04 g/mol
LogP1.85
Rot. Bonds10

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

copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 5475129) has the molecular formula C22H30CuN2O4 and a molecular weight of 450.04 g/mol. Its IUPAC name is copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID5475129
Molecular FormulaC22H30CuN2O4
Molecular Weight450.04 g/mol
Exact Mass449.15
IUPAC Namecopper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C/NCCCCO.O=C1C=CC=C/C1=C/NCCCCO.[Cu]
InChIInChI=1S/2C11H15NO2.Cu/c2*13-8-4-3-7-12-9-10-5-1-2-6-11(10)14;/h2*1-2,5-6,9,12-13H,3-4,7-8H2;/b2*10-9-;
InChIKeyWSEYUGNZKZKVLK-CVBJKYQLSA-N
XLogP1.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.04
LogP ≤ 51.85
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-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one) (CID 5475129) is copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one) is O=C1C=CC=C/C1=C/NCCCCO.O=C1C=CC=C/C1=C/NCCCCO.[Cu].
What is the InChIKey of copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is WSEYUGNZKZKVLK-CVBJKYQLSA-N. The full InChI is InChI=1S/2C11H15NO2.Cu/c2*13-8-4-3-7-12-9-10-5-1-2-6-11(10)14;/h2*1-2,5-6,9,12-13H,3-4,7-8H2;/b2*10-9-;.
What are the key properties of copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one)?
copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 450.04 g/mol, XLogP of 1.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((6Z)-6-[(4-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5475129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).