3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten

C8H9NW2-2 — CID 59184788

IUPAC3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
SMILESCC(C)c1[c-]nc[c-]c1.[W].[W]
InChIInChI=1S/C8H9N.2W/c1-7(2)8-4-3-5-9-6-8;;/h4-5,7H,1-2H3;;/q-2;;
InChIKeyAEIUOYQVIUOFPE-UHFFFAOYSA-N
MW486.85 g/mol
LogP1.80
Rot. Bonds1

About 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten

3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten (PubChem CID 59184788) has the molecular formula C8H9NW2-2 and a molecular weight of 486.85 g/mol. Its IUPAC name is 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten.

Molecular Properties

Compound Name3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
PubChem CID59184788
Molecular FormulaC8H9NW2-2
Molecular Weight486.85 g/mol
Exact Mass486.98
IUPAC Name3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
SMILESCC(C)c1[c-]nc[c-]c1.[W].[W]
InChIInChI=1S/C8H9N.2W/c1-7(2)8-4-3-5-9-6-8;;/h4-5,7H,1-2H3;;/q-2;;
InChIKeyAEIUOYQVIUOFPE-UHFFFAOYSA-N
XLogP1.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.85
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The IUPAC name of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten (CID 59184788) is 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten.
What is the SMILES notation for 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The canonical SMILES for 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten is CC(C)c1[c-]nc[c-]c1.[W].[W].
What is the InChIKey of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The InChIKey is AEIUOYQVIUOFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.2W/c1-7(2)8-4-3-5-9-6-8;;/h4-5,7H,1-2H3;;/q-2;;.
What are the key properties of 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten has a molecular weight of 486.85 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten is sourced from PubChem (CID 59184788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).