1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one

C10H15NO3 — CID 66221282

IUPAC1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one
SMILESCOC(Cn1c(C)cccc1=O)OC
InChIInChI=1S/C10H15NO3/c1-8-5-4-6-9(12)11(8)7-10(13-2)14-3/h4-6,10H,7H2,1-3H3
InChIKeyWTEDYKHXDYLZHG-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one

1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one (PubChem CID 66221282) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one
PubChem CID66221282
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one
SMILESCOC(Cn1c(C)cccc1=O)OC
InChIInChI=1S/C10H15NO3/c1-8-5-4-6-9(12)11(8)7-10(13-2)14-3/h4-6,10H,7H2,1-3H3
InChIKeyWTEDYKHXDYLZHG-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one (CID 66221282) is 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one is COC(Cn1c(C)cccc1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one?
The InChIKey is WTEDYKHXDYLZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8-5-4-6-9(12)11(8)7-10(13-2)14-3/h4-6,10H,7H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one?
1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 66221282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).