1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium

C16H14NO2Y- — CID 146982885

IUPAC1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium
SMILESC#CCOc1ccc(-c2[c-]ccc(=O)n2C)c(C)c1.[Y]
InChIInChI=1S/C16H14NO2.Y/c1-4-10-19-13-8-9-14(12(2)11-13)15-6-5-7-16(18)17(15)3;/h1,5,7-9,11H,10H2,2-3H3;/q-1;
InChIKeyXICYNFYSLYMLJF-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.17
Rot. Bonds3

About 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium

1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium (PubChem CID 146982885) has the molecular formula C16H14NO2Y- and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium
PubChem CID146982885
Molecular FormulaC16H14NO2Y-
Molecular Weight341.20 g/mol
Exact Mass341.01
IUPAC Name1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium
SMILESC#CCOc1ccc(-c2[c-]ccc(=O)n2C)c(C)c1.[Y]
InChIInChI=1S/C16H14NO2.Y/c1-4-10-19-13-8-9-14(12(2)11-13)15-6-5-7-16(18)17(15)3;/h1,5,7-9,11H,10H2,2-3H3;/q-1;
InChIKeyXICYNFYSLYMLJF-UHFFFAOYSA-N
XLogP2.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium (CID 146982885) is 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium is C#CCOc1ccc(-c2[c-]ccc(=O)n2C)c(C)c1.[Y].
What is the InChIKey of 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is XICYNFYSLYMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NO2.Y/c1-4-10-19-13-8-9-14(12(2)11-13)15-6-5-7-16(18)17(15)3;/h1,5,7-9,11H,10H2,2-3H3;/q-1;.
What are the key properties of 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium?
1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 341.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 146982885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).