6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium

C12H20NY- — CID 58763134

IUPAC6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium
SMILESCC1=[C-]C(C(C)C)=C(C(C)C)CN1.[Y]
InChIInChI=1S/C12H20N.Y/c1-8(2)11-6-10(5)13-7-12(11)9(3)4;/h8-9,13H,7H2,1-5H3;/q-1;
InChIKeyVBOYGADSLZPUCC-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.90
Rot. Bonds2

About 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium

6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium (PubChem CID 58763134) has the molecular formula C12H20NY- and a molecular weight of 267.20 g/mol. Its IUPAC name is 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium.

Molecular Properties

Compound Name6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium
PubChem CID58763134
Molecular FormulaC12H20NY-
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium
SMILESCC1=[C-]C(C(C)C)=C(C(C)C)CN1.[Y]
InChIInChI=1S/C12H20N.Y/c1-8(2)11-6-10(5)13-7-12(11)9(3)4;/h8-9,13H,7H2,1-5H3;/q-1;
InChIKeyVBOYGADSLZPUCC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.90
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 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium?
The IUPAC name of 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium (CID 58763134) is 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium.
What is the SMILES notation for 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium?
The canonical SMILES for 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium is CC1=[C-]C(C(C)C)=C(C(C)C)CN1.[Y].
What is the InChIKey of 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium?
The InChIKey is VBOYGADSLZPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.Y/c1-8(2)11-6-10(5)13-7-12(11)9(3)4;/h8-9,13H,7H2,1-5H3;/q-1;.
What are the key properties of 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium?
6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium has a molecular weight of 267.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-di(propan-2-yl)-2,5-dihydro-1H-pyridin-5-ide;yttrium is sourced from PubChem (CID 58763134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).