propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)

C11H17NW — CID 169042532

IUPACpropane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)
SMILESCC(C)c1c[c-]cnc1.C[CH-]C.[W+2]
InChIInChI=1S/C8H10N.C3H7.W/c1-7(2)8-4-3-5-9-6-8;1-3-2;/h4-7H,1-2H3;3H,1-2H3;/q2*-1;+2
InChIKeyGVUABJWEMSJFNC-UHFFFAOYSA-N
MW347.10 g/mol
LogP3.23
Rot. Bonds1

About propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)

propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+) (PubChem CID 169042532) has the molecular formula C11H17NW and a molecular weight of 347.10 g/mol. Its IUPAC name is propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+).

Molecular Properties

Compound Namepropane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)
PubChem CID169042532
Molecular FormulaC11H17NW
Molecular Weight347.10 g/mol
Exact Mass347.09
IUPAC Namepropane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)
SMILESCC(C)c1c[c-]cnc1.C[CH-]C.[W+2]
InChIInChI=1S/C8H10N.C3H7.W/c1-7(2)8-4-3-5-9-6-8;1-3-2;/h4-7H,1-2H3;3H,1-2H3;/q2*-1;+2
InChIKeyGVUABJWEMSJFNC-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.10
LogP ≤ 53.23
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 propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)?
The IUPAC name of propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+) (CID 169042532) is propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+).
What is the SMILES notation for propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)?
The canonical SMILES for propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+) is CC(C)c1c[c-]cnc1.C[CH-]C.[W+2].
What is the InChIKey of propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)?
The InChIKey is GVUABJWEMSJFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.C3H7.W/c1-7(2)8-4-3-5-9-6-8;1-3-2;/h4-7H,1-2H3;3H,1-2H3;/q2*-1;+2.
What are the key properties of propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+)?
propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+) has a molecular weight of 347.10 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;5-propan-2-yl-3H-pyridin-3-ide;tungsten(2+) is sourced from PubChem (CID 169042532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).