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

C11H17NV — CID 58748040

IUPACpropane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)
SMILESCC(C)c1c[c-]cnc1.C[CH-]C.[V+2]
InChIInChI=1S/C8H10N.C3H7.V/c1-7(2)8-4-3-5-9-6-8;1-3-2;/h4-7H,1-2H3;3H,1-2H3;/q2*-1;+2
InChIKeyGCQZEIHSVUHPHY-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.23
Rot. Bonds1

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

propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+) (PubChem CID 58748040) has the molecular formula C11H17NV and a molecular weight of 214.21 g/mol. Its IUPAC name is propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+).

Molecular Properties

Compound Namepropane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)
PubChem CID58748040
Molecular FormulaC11H17NV
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Namepropane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)
SMILESCC(C)c1c[c-]cnc1.C[CH-]C.[V+2]
InChIInChI=1S/C8H10N.C3H7.V/c1-7(2)8-4-3-5-9-6-8;1-3-2;/h4-7H,1-2H3;3H,1-2H3;/q2*-1;+2
InChIKeyGCQZEIHSVUHPHY-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 ≤ 500214.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;3-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856174
5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055247
5-methanidyl-3H-pyridin-3-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055620
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-2H-pyridin-2-ide;rhodium
CID 58126745
5-propan-2-yl-3H-pyridin-3-ide;rhodium
CID 58126788
4-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 58365304
3-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 58365508
propane;4-propan-2-yl-2H-pyridin-2-ide;vanadium(2+)
CID 58748074

Frequently Asked Questions

What is the IUPAC name of propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)?
The IUPAC name of propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+) (CID 58748040) is propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+).
What is the SMILES notation for propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)?
The canonical SMILES for propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+) is CC(C)c1c[c-]cnc1.C[CH-]C.[V+2].
What is the InChIKey of propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)?
The InChIKey is GCQZEIHSVUHPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.C3H7.V/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;vanadium(2+)?
propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+) has a molecular weight of 214.21 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;vanadium(2+) is sourced from PubChem (CID 58748040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).