4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium

C9H11NY-2 — CID 59955275

IUPAC4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium
SMILES[H]/[C-]=C/C=[C-]/C1=CCNCC1.[Y]
InChIInChI=1S/C9H11N.Y/c1-2-3-4-9-5-7-10-8-6-9;/h1-3,5,10H,6-8H2;/q-2;
InChIKeyIENHTKBKYLNJIF-UHFFFAOYSA-N
MW222.10 g/mol
LogP1.25
Rot. Bonds2

About 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium

4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium (PubChem CID 59955275) has the molecular formula C9H11NY-2 and a molecular weight of 222.10 g/mol. Its IUPAC name is 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium.

Molecular Properties

Compound Name4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium
PubChem CID59955275
Molecular FormulaC9H11NY-2
Molecular Weight222.10 g/mol
Exact Mass222.00
IUPAC Name4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium
SMILES[H]/[C-]=C/C=[C-]/C1=CCNCC1.[Y]
InChIInChI=1S/C9H11N.Y/c1-2-3-4-9-5-7-10-8-6-9;/h1-3,5,10H,6-8H2;/q-2;
InChIKeyIENHTKBKYLNJIF-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium?
The IUPAC name of 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium (CID 59955275) is 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium.
What is the SMILES notation for 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium?
The canonical SMILES for 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium is [H]/[C-]=C/C=[C-]/C1=CCNCC1.[Y].
What is the InChIKey of 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium?
The InChIKey is IENHTKBKYLNJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.Y/c1-2-3-4-9-5-7-10-8-6-9;/h1-3,5,10H,6-8H2;/q-2;.
What are the key properties of 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium?
4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium has a molecular weight of 222.10 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine;yttrium is sourced from PubChem (CID 59955275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).