3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)

C12H15NW — CID 59887101

IUPAC3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
SMILES[H]/[C-]=C/C1=[C-]N(C)C(=C)C(C(C)C)=C1.[W+2]
InChIInChI=1S/C12H15N.W/c1-6-11-7-12(9(2)3)10(4)13(5)8-11;/h1,6-7,9H,4H2,2-3,5H3;/q-2;+2
InChIKeyKKBCFRCJJJQHAY-UHFFFAOYSA-N
MW357.10 g/mol
LogP2.70
Rot. Bonds2

About 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)

3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+) (PubChem CID 59887101) has the molecular formula C12H15NW and a molecular weight of 357.10 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+).

Molecular Properties

Compound Name3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
PubChem CID59887101
Molecular FormulaC12H15NW
Molecular Weight357.10 g/mol
Exact Mass357.07
IUPAC Name3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
SMILES[H]/[C-]=C/C1=[C-]N(C)C(=C)C(C(C)C)=C1.[W+2]
InChIInChI=1S/C12H15N.W/c1-6-11-7-12(9(2)3)10(4)13(5)8-11;/h1,6-7,9H,4H2,2-3,5H3;/q-2;+2
InChIKeyKKBCFRCJJJQHAY-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)?
The IUPAC name of 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+) (CID 59887101) is 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+).
What is the SMILES notation for 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)?
The canonical SMILES for 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+) is [H]/[C-]=C/C1=[C-]N(C)C(=C)C(C(C)C)=C1.[W+2].
What is the InChIKey of 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)?
The InChIKey is KKBCFRCJJJQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.W/c1-6-11-7-12(9(2)3)10(4)13(5)8-11;/h1,6-7,9H,4H2,2-3,5H3;/q-2;+2.
What are the key properties of 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)?
3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+) has a molecular weight of 357.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+) is sourced from PubChem (CID 59887101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).