1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium

C15H20N2Y — CID 59188823

IUPAC1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
SMILESC=C(CC)N1CC=C(C[n+]2cc[c-]cc2)CC1.[Y]
InChIInChI=1S/C15H20N2.Y/c1-3-14(2)17-11-7-15(8-12-17)13-16-9-5-4-6-10-16;/h5-7,9-10H,2-3,8,11-13H2,1H3;
InChIKeyIHISTCLEYLULLQ-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.33
Rot. Bonds4

About 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium

1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium (PubChem CID 59188823) has the molecular formula C15H20N2Y and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium.

Molecular Properties

Compound Name1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
PubChem CID59188823
Molecular FormulaC15H20N2Y
Molecular Weight317.25 g/mol
Exact Mass317.07
IUPAC Name1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
SMILESC=C(CC)N1CC=C(C[n+]2cc[c-]cc2)CC1.[Y]
InChIInChI=1S/C15H20N2.Y/c1-3-14(2)17-11-7-15(8-12-17)13-16-9-5-4-6-10-16;/h5-7,9-10H,2-3,8,11-13H2,1H3;
InChIKeyIHISTCLEYLULLQ-UHFFFAOYSA-N
XLogP2.33
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium 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 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium?
The IUPAC name of 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium (CID 59188823) is 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium.
What is the SMILES notation for 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium?
The canonical SMILES for 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium is C=C(CC)N1CC=C(C[n+]2cc[c-]cc2)CC1.[Y].
What is the InChIKey of 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium?
The InChIKey is IHISTCLEYLULLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.Y/c1-3-14(2)17-11-7-15(8-12-17)13-16-9-5-4-6-10-16;/h5-7,9-10H,2-3,8,11-13H2,1H3;.
What are the key properties of 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium?
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium has a molecular weight of 317.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium is sourced from PubChem (CID 59188823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).