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

C8H9NW2-2 — CID 59184821

IUPAC4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
SMILESCC(C)c1[c-]cn[c-]c1.[W].[W]
InChIInChI=1S/C8H9N.2W/c1-7(2)8-3-5-9-6-4-8;;/h3,6-7H,1-2H3;;/q-2;;
InChIKeyOUSMLLGBHVNVMQ-UHFFFAOYSA-N
MW486.85 g/mol
LogP1.80
Rot. Bonds1

About 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten

4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten (PubChem CID 59184821) has the molecular formula C8H9NW2-2 and a molecular weight of 486.85 g/mol. Its IUPAC name is 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten.

Molecular Properties

Compound Name4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
PubChem CID59184821
Molecular FormulaC8H9NW2-2
Molecular Weight486.85 g/mol
Exact Mass486.98
IUPAC Name4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
SMILESCC(C)c1[c-]cn[c-]c1.[W].[W]
InChIInChI=1S/C8H9N.2W/c1-7(2)8-3-5-9-6-4-8;;/h3,6-7H,1-2H3;;/q-2;;
InChIKeyOUSMLLGBHVNVMQ-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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Related Compounds

carbanide;4-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856127
carbanide;3-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856174
3-Propan-2-yl-2,5-dihydropyridine-2,5-diide;bis(rhodium)
CID 58126723
3-propan-2-yl-2H-pyridin-2-ide;rhodium
CID 58126740
5-propan-2-yl-3H-pyridin-3-ide;rhodium
CID 58126788
3-propan-2-yl-4H-pyridin-4-ide;rhodium
CID 58126790
3-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 58365241
4-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 58365304
3-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 58365508
propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)
CID 58748040
4-Propan-2-yl-2,6-dihydropyridine-2,6-diide;tungsten
CID 59184761
3-Propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
CID 59184788

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The IUPAC name of 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten (CID 59184821) is 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten.
What is the SMILES notation for 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The canonical SMILES for 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten is CC(C)c1[c-]cn[c-]c1.[W].[W].
What is the InChIKey of 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The InChIKey is OUSMLLGBHVNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.2W/c1-7(2)8-3-5-9-6-4-8;;/h3,6-7H,1-2H3;;/q-2;;.
What are the key properties of 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
4-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 4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten is sourced from PubChem (CID 59184821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).