copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate

C15H15CuN3O5 — CID 139201225

IUPACcopper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate
SMILESCC(=O)/C=C(/C)[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H8O2.Cu.NO3/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(6)3-5(2)7;;2-1(3)4/h1-8H;3,6H,1-2H3;;/q;;+2;-1/p-1/b;4-3-;;
InChIKeyLZFPBKUIQIVORU-MECAPONASA-M
MW380.85 g/mol
LogP1.74
Rot. Bonds2

About copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate

copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate (PubChem CID 139201225) has the molecular formula C15H15CuN3O5 and a molecular weight of 380.85 g/mol. Its IUPAC name is copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate.

Molecular Properties

Compound Namecopper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate
PubChem CID139201225
Molecular FormulaC15H15CuN3O5
Molecular Weight380.85 g/mol
Exact Mass380.03
IUPAC Namecopper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate
SMILESCC(=O)/C=C(/C)[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H8O2.Cu.NO3/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(6)3-5(2)7;;2-1(3)4/h1-8H;3,6H,1-2H3;;/q;;+2;-1/p-1/b;4-3-;;
InChIKeyLZFPBKUIQIVORU-MECAPONASA-M
XLogP1.74
TPSA132.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate?
The IUPAC name of copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate (CID 139201225) is copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate.
What is the SMILES notation for copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate?
The canonical SMILES for copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate is CC(=O)/C=C(/C)[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate?
The InChIKey is LZFPBKUIQIVORU-MECAPONASA-M. The full InChI is InChI=1S/C10H8N2.C5H8O2.Cu.NO3/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(6)3-5(2)7;;2-1(3)4/h1-8H;3,6H,1-2H3;;/q;;+2;-1/p-1/b;4-3-;;.
What are the key properties of copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate?
copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate has a molecular weight of 380.85 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-4-oxopent-2-en-2-olate;2-pyridin-2-ylpyridine;nitrate is sourced from PubChem (CID 139201225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).