5-(methoxymethyl)-2-methyl-1H-pyridin-4-one

C8H11NO2 — CID 175953336

IUPAC5-(methoxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCOCc1c[nH]c(C)cc1=O
InChIInChI=1S/C8H11NO2/c1-6-3-8(10)7(4-9-6)5-11-2/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyJAVARFUOBSVHDO-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.83
Rot. Bonds2

About 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one

5-(methoxymethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 175953336) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methyl-1H-pyridin-4-one
PubChem CID175953336
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-(methoxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCOCc1c[nH]c(C)cc1=O
InChIInChI=1S/C8H11NO2/c1-6-3-8(10)7(4-9-6)5-11-2/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyJAVARFUOBSVHDO-UHFFFAOYSA-N
XLogP0.83
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one (CID 175953336) is 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one is COCc1c[nH]c(C)cc1=O.
What is the InChIKey of 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is JAVARFUOBSVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-3-8(10)7(4-9-6)5-11-2/h3-4H,5H2,1-2H3,(H,9,10).
What are the key properties of 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one?
5-(methoxymethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 175953336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).