1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium

C10H14NO2Y- — CID 59959845

IUPAC1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium
SMILESC[CH-]n1c(C)cc(OC)c(C)c1=O.[Y]
InChIInChI=1S/C10H14NO2.Y/c1-5-11-7(2)6-9(13-4)8(3)10(11)12;/h5-6H,1-4H3;/q-1;
InChIKeyMLLZDKTZULCGEE-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.50
Rot. Bonds2

About 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium

1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium (PubChem CID 59959845) has the molecular formula C10H14NO2Y- and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium.

Molecular Properties

Compound Name1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium
PubChem CID59959845
Molecular FormulaC10H14NO2Y-
Molecular Weight269.13 g/mol
Exact Mass269.01
IUPAC Name1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium
SMILESC[CH-]n1c(C)cc(OC)c(C)c1=O.[Y]
InChIInChI=1S/C10H14NO2.Y/c1-5-11-7(2)6-9(13-4)8(3)10(11)12;/h5-6H,1-4H3;/q-1;
InChIKeyMLLZDKTZULCGEE-UHFFFAOYSA-N
XLogP1.50
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium?
The IUPAC name of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium (CID 59959845) is 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium.
What is the SMILES notation for 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium?
The canonical SMILES for 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium is C[CH-]n1c(C)cc(OC)c(C)c1=O.[Y].
What is the InChIKey of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium?
The InChIKey is MLLZDKTZULCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2.Y/c1-5-11-7(2)6-9(13-4)8(3)10(11)12;/h5-6H,1-4H3;/q-1;.
What are the key properties of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium?
1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium has a molecular weight of 269.13 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one;yttrium is sourced from PubChem (CID 59959845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).