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

C9H11NW2-2 — CID 59686857

IUPAC3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
SMILESCc1[c-]nc[c-]c1C(C)C.[W].[W]
InChIInChI=1S/C9H11N.2W/c1-7(2)9-4-5-10-6-8(9)3;;/h5,7H,1-3H3;;/q-2;;
InChIKeyQKHPVIDTIMTBCL-UHFFFAOYSA-N
MW500.87 g/mol
LogP2.11
Rot. Bonds1

About 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten

3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten (PubChem CID 59686857) has the molecular formula C9H11NW2-2 and a molecular weight of 500.87 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
PubChem CID59686857
Molecular FormulaC9H11NW2-2
Molecular Weight500.87 g/mol
Exact Mass500.99
IUPAC Name3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
SMILESCc1[c-]nc[c-]c1C(C)C.[W].[W]
InChIInChI=1S/C9H11N.2W/c1-7(2)9-4-5-10-6-8(9)3;;/h5,7H,1-3H3;;/q-2;;
InChIKeyQKHPVIDTIMTBCL-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.87
LogP ≤ 52.11
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

3-methyl-5-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 57554353
carbanide;5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856119
carbanide;4-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856127
3-Methyl-5-propan-2-yl-2,4-dihydropyridine-2,4-diide;bis(rhodium)
CID 58126729
3-Propan-2-yl-2,4-dihydropyridine-2,4-diide;bis(rhodium)
CID 58126753
3-Propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
CID 59184788
4-propan-2-yl-3H-pyridin-3-ide;tungsten
CID 59184812
4-propan-2-yl-2H-pyridin-2-ide;tungsten
CID 59184813
4-Propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten
CID 59184821
5-propan-2-yl-2H-pyridin-2-ide;rutherfordium
CID 155733043
3-Propan-2-yl-2,4-dihydropyridine-2,4-diide;rhodium;rutherfordium
CID 162364515
propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)
CID 169042532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The IUPAC name of 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten (CID 59686857) is 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten.
What is the SMILES notation for 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The canonical SMILES for 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten is Cc1[c-]nc[c-]c1C(C)C.[W].[W].
What is the InChIKey of 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
The InChIKey is QKHPVIDTIMTBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.2W/c1-7(2)9-4-5-10-6-8(9)3;;/h5,7H,1-3H3;;/q-2;;.
What are the key properties of 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten?
3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten has a molecular weight of 500.87 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-2,5-dihydropyridine-2,5-diide;tungsten is sourced from PubChem (CID 59686857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).