cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite

C15H19CoN2O6 — CID 139088678

IUPACcobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].O=N[O-].[Co+3].c1ccncc1
InChIInChI=1S/C5H5N.2C5H8O2.Co.HNO2/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;2-1-3/h1-5H;2*3,6H,1-2H3;;(H,2,3)/q;;;+3;/p-3/b;2*4-3-;;
InChIKeyZDERPFAOBSIPQB-GLPMUSQESA-K
MW382.26 g/mol
LogP1.01
Rot. Bonds2

About cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite

cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite (PubChem CID 139088678) has the molecular formula C15H19CoN2O6 and a molecular weight of 382.26 g/mol. Its IUPAC name is cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite.

Molecular Properties

Compound Namecobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite
PubChem CID139088678
Molecular FormulaC15H19CoN2O6
Molecular Weight382.26 g/mol
Exact Mass382.06
IUPAC Namecobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].O=N[O-].[Co+3].c1ccncc1
InChIInChI=1S/C5H5N.2C5H8O2.Co.HNO2/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;2-1-3/h1-5H;2*3,6H,1-2H3;;(H,2,3)/q;;;+3;/p-3/b;2*4-3-;;
InChIKeyZDERPFAOBSIPQB-GLPMUSQESA-K
XLogP1.01
TPSA145.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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 cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite?
The IUPAC name of cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite (CID 139088678) is cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite.
What is the SMILES notation for cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite?
The canonical SMILES for cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].O=N[O-].[Co+3].c1ccncc1.
What is the InChIKey of cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite?
The InChIKey is ZDERPFAOBSIPQB-GLPMUSQESA-K. The full InChI is InChI=1S/C5H5N.2C5H8O2.Co.HNO2/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;2-1-3/h1-5H;2*3,6H,1-2H3;;(H,2,3)/q;;;+3;/p-3/b;2*4-3-;;.
What are the key properties of cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite?
cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite has a molecular weight of 382.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis((Z)-4-oxopent-2-en-2-olate);pyridine;nitrite is sourced from PubChem (CID 139088678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).