bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)

C15H19NO5V — CID 139072971

IUPACbis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-2].[V+4].c1ccncc1
InChIInChI=1S/C5H5N.2C5H8O2.O.V/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;/h1-5H;2*3,6H,1-2H3;;/q;;;-2;+4/p-2/b;2*4-3-;;
InChIKeyYSRQUUHZBMCDKU-GLPMUSQESA-L
MW344.26 g/mol
LogP0.64
Rot. Bonds2

About bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)

bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+) (PubChem CID 139072971) has the molecular formula C15H19NO5V and a molecular weight of 344.26 g/mol. Its IUPAC name is bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+).

Molecular Properties

Compound Namebis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)
PubChem CID139072971
Molecular FormulaC15H19NO5V
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Namebis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-2].[V+4].c1ccncc1
InChIInChI=1S/C5H5N.2C5H8O2.O.V/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;/h1-5H;2*3,6H,1-2H3;;/q;;;-2;+4/p-2/b;2*4-3-;;
InChIKeyYSRQUUHZBMCDKU-GLPMUSQESA-L
XLogP0.64
TPSA121.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Acetonylpyridinium Chloride
CID 2734121
1,3'-bipyridinium, 1'-(3-(dimethylamino)propyl)-6'-hydroxy-4'-methyl-2'-oxo-, inner salt
CID 14669967
Mls000766145
CID 5382674
(1E,4E)-1,5-Di-2-pyridinyl-1,4-pentadien-3-one
CID 68191671
2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate
CID 599945
2-(Tributylstannyl)pyridine
CID 607784
1-(2-Oxopropyl)pyridinium bromide
CID 3084277
3-(Tributylstannyl)pyridine
CID 3483848
1-(3,3-Dimethyl-2-oxobutyl)pyridinium
CID 14592567
(3E,5E,7E,9E)-10-(3-Pyridinyl)-3,5,7,9-decatetraen-2-one
CID 10944128
1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-
CID 6290203
Pyridine, 2-(trimethylstannyl)-
CID 11021057

Frequently Asked Questions

What is the IUPAC name of bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)?
The IUPAC name of bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+) (CID 139072971) is bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+).
What is the SMILES notation for bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)?
The canonical SMILES for bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-2].[V+4].c1ccncc1.
What is the InChIKey of bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)?
The InChIKey is YSRQUUHZBMCDKU-GLPMUSQESA-L. The full InChI is InChI=1S/C5H5N.2C5H8O2.O.V/c1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;/h1-5H;2*3,6H,1-2H3;;/q;;;-2;+4/p-2/b;2*4-3-;;.
What are the key properties of bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+)?
bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+) has a molecular weight of 344.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-oxopent-2-en-2-olate);oxygen(2-);pyridine;vanadium(4+) is sourced from PubChem (CID 139072971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).