4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium

C15H14NY- — CID 164937411

IUPAC4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium
SMILES[H]/[C-]=C/c1[c-]c(-c2ccccc2C)[n+](C)cc1.[Y]
InChIInChI=1S/C15H14N.Y/c1-4-13-9-10-16(3)15(11-13)14-8-6-5-7-12(14)2;/h1,4-10H,2-3H3;/q-1;
InChIKeyPKKVCRKCQDBXNZ-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.73
Rot. Bonds2

About 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium

4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium (PubChem CID 164937411) has the molecular formula C15H14NY- and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium.

Molecular Properties

Compound Name4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium
PubChem CID164937411
Molecular FormulaC15H14NY-
Molecular Weight297.19 g/mol
Exact Mass297.02
IUPAC Name4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium
SMILES[H]/[C-]=C/c1[c-]c(-c2ccccc2C)[n+](C)cc1.[Y]
InChIInChI=1S/C15H14N.Y/c1-4-13-9-10-16(3)15(11-13)14-8-6-5-7-12(14)2;/h1,4-10H,2-3H3;/q-1;
InChIKeyPKKVCRKCQDBXNZ-UHFFFAOYSA-N
XLogP2.73
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 169301164
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ethene;1-methyl-2-(2-methylphenyl)benzene
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N-[1-methyl-6-(2-methylphenyl)-4H-pyrimidin-1-ium-4-id-5-yl]methanimine;yttrium
CID 164937480
3-ethenyl-7-methyl-1-(2-methylphenyl)-2H-pyrrolo[2,3-b]pyridin-1-ium-2-ide;yttrium
CID 159185329
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314
1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
CID 158292360

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium?
The IUPAC name of 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium (CID 164937411) is 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium.
What is the SMILES notation for 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium?
The canonical SMILES for 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium is [H]/[C-]=C/c1[c-]c(-c2ccccc2C)[n+](C)cc1.[Y].
What is the InChIKey of 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium?
The InChIKey is PKKVCRKCQDBXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N.Y/c1-4-13-9-10-16(3)15(11-13)14-8-6-5-7-12(14)2;/h1,4-10H,2-3H3;/q-1;.
What are the key properties of 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium?
4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium has a molecular weight of 297.19 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium is sourced from PubChem (CID 164937411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).