3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium

C8H13NY-2 — CID 58247607

IUPAC3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium
SMILES[CH2-]CCC1[CH-]C=CNC1.[Y]
InChIInChI=1S/C8H13N.Y/c1-2-4-8-5-3-6-9-7-8;/h3,5-6,8-9H,1-2,4,7H2;/q-2;
InChIKeyXLQWGVSEQNYVTC-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.54
Rot. Bonds2

About 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium

3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium (PubChem CID 58247607) has the molecular formula C8H13NY-2 and a molecular weight of 212.10 g/mol. Its IUPAC name is 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium.

Molecular Properties

Compound Name3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium
PubChem CID58247607
Molecular FormulaC8H13NY-2
Molecular Weight212.10 g/mol
Exact Mass212.01
IUPAC Name3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium
SMILES[CH2-]CCC1[CH-]C=CNC1.[Y]
InChIInChI=1S/C8H13N.Y/c1-2-4-8-5-3-6-9-7-8;/h3,5-6,8-9H,1-2,4,7H2;/q-2;
InChIKeyXLQWGVSEQNYVTC-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
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 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium?
The IUPAC name of 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium (CID 58247607) is 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium.
What is the SMILES notation for 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium?
The canonical SMILES for 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium is [CH2-]CCC1[CH-]C=CNC1.[Y].
What is the InChIKey of 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium?
The InChIKey is XLQWGVSEQNYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.Y/c1-2-4-8-5-3-6-9-7-8;/h3,5-6,8-9H,1-2,4,7H2;/q-2;.
What are the key properties of 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium?
3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium has a molecular weight of 212.10 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2,3,4-tetrahydropyridin-4-ide;yttrium is sourced from PubChem (CID 58247607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).