1-(2-methoxyethyl)-3-methylpyridin-4-one

C9H13NO2 — CID 130577029

IUPAC1-(2-methoxyethyl)-3-methylpyridin-4-one
SMILESCOCCn1ccc(=O)c(C)c1
InChIInChI=1S/C9H13NO2/c1-8-7-10(5-6-12-2)4-3-9(8)11/h3-4,7H,5-6H2,1-2H3
InChIKeyPGGJGKFTQUVVDD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methylpyridin-4-one

1-(2-methoxyethyl)-3-methylpyridin-4-one (PubChem CID 130577029) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methylpyridin-4-one
PubChem CID130577029
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-methoxyethyl)-3-methylpyridin-4-one
SMILESCOCCn1ccc(=O)c(C)c1
InChIInChI=1S/C9H13NO2/c1-8-7-10(5-6-12-2)4-3-9(8)11/h3-4,7H,5-6H2,1-2H3
InChIKeyPGGJGKFTQUVVDD-UHFFFAOYSA-N
XLogP0.80
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one
CID 130577065
1-[2-(azetidin-3-yl)ethyl]-3-methylpyridin-4-one
CID 130576983
3-methyl-1-(2-methylprop-2-enyl)pyridin-4-one
CID 130577019
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole
CID 141352906
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-4-one
CID 112589434
1-(4-methoxybutyl)pyridin-4-one
CID 116622413
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol
CID 113427301
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one
CID 62881033
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid
CID 103410362

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methylpyridin-4-one?
The IUPAC name of 1-(2-methoxyethyl)-3-methylpyridin-4-one (CID 130577029) is 1-(2-methoxyethyl)-3-methylpyridin-4-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methylpyridin-4-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-methylpyridin-4-one is COCCn1ccc(=O)c(C)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-methylpyridin-4-one?
The InChIKey is PGGJGKFTQUVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8-7-10(5-6-12-2)4-3-9(8)11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methylpyridin-4-one?
1-(2-methoxyethyl)-3-methylpyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methylpyridin-4-one is sourced from PubChem (CID 130577029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).