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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Related Compounds

2-[4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)-3-methylphenoxy]acetonitrile;yttrium
CID 159088322
6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one
CID 158647541
2-methyl-4-prop-2-ynoxybenzaldehyde
CID 79119365
6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 147258078
1-ethyl-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153450365
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488
2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 159568272
2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 157202717
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
3-bromo-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451057

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).