copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol

C16H20CuN2O2 — CID 143271078

IUPACcopper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol
SMILESC=C/C=C(/C=N/CC/N=C/C(=C/C=C)C(=C)O)C(=C)O.[Cu]
InChIInChI=1S/C16H20N2O2.Cu/c1-5-7-15(13(3)19)11-17-9-10-18-12-16(8-6-2)14(4)20;/h5-8,11-12,19-20H,1-4,9-10H2;/b15-7-,16-8-,17-11+,18-12+;
InChIKeyUMAUBIKTUYDXRW-BARDCDQISA-N
MW335.89 g/mol
LogP3.49
Rot. Bonds9

About copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol

copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol (PubChem CID 143271078) has the molecular formula C16H20CuN2O2 and a molecular weight of 335.89 g/mol. Its IUPAC name is copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Namecopper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol
PubChem CID143271078
Molecular FormulaC16H20CuN2O2
Molecular Weight335.89 g/mol
Exact Mass335.08
IUPAC Namecopper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol
SMILESC=C/C=C(/C=N/CC/N=C/C(=C/C=C)C(=C)O)C(=C)O.[Cu]
InChIInChI=1S/C16H20N2O2.Cu/c1-5-7-15(13(3)19)11-17-9-10-18-12-16(8-6-2)14(4)20;/h5-8,11-12,19-20H,1-4,9-10H2;/b15-7-,16-8-,17-11+,18-12+;
InChIKeyUMAUBIKTUYDXRW-BARDCDQISA-N
XLogP3.49
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol;ethane
CID 123572869
(3E,5Z)-5-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hepta-1,3,5-trien-4-ol
CID 143182631
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol
CID 123572870
(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol
CID 143271079

Frequently Asked Questions

What is the IUPAC name of copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol?
The IUPAC name of copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol (CID 143271078) is copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol.
What is the SMILES notation for copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol?
The canonical SMILES for copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol is C=C/C=C(/C=N/CC/N=C/C(=C/C=C)C(=C)O)C(=C)O.[Cu].
What is the InChIKey of copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol?
The InChIKey is UMAUBIKTUYDXRW-BARDCDQISA-N. The full InChI is InChI=1S/C16H20N2O2.Cu/c1-5-7-15(13(3)19)11-17-9-10-18-12-16(8-6-2)14(4)20;/h5-8,11-12,19-20H,1-4,9-10H2;/b15-7-,16-8-,17-11+,18-12+;.
What are the key properties of copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol?
copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol has a molecular weight of 335.89 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 143271078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).