1-methyl-3-(phenoxymethyl)pyridin-2-one

C13H13NO2 — CID 11424456

IUPAC1-methyl-3-(phenoxymethyl)pyridin-2-one
SMILESCn1cccc(COc2ccccc2)c1=O
InChIInChI=1S/C13H13NO2/c1-14-9-5-6-11(13(14)15)10-16-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyVPMROTSEPIXQJM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.96
Rot. Bonds3

About 1-methyl-3-(phenoxymethyl)pyridin-2-one

1-methyl-3-(phenoxymethyl)pyridin-2-one (PubChem CID 11424456) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methyl-3-(phenoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(phenoxymethyl)pyridin-2-one
PubChem CID11424456
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-methyl-3-(phenoxymethyl)pyridin-2-one
SMILESCn1cccc(COc2ccccc2)c1=O
InChIInChI=1S/C13H13NO2/c1-14-9-5-6-11(13(14)15)10-16-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyVPMROTSEPIXQJM-UHFFFAOYSA-N
XLogP1.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-2-oxo-3-pyridinyl)methyl acetate
CID 165348634
1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
CID 145026710
[2-(phenoxymethyl)phenyl]methyl methanesulfonate
CID 126722935
methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
CID 126586374
1-methyl-4-[2-(phenoxymethyl)phenyl]tetrazol-5-one
CID 134251488
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
1-(2-methylpropyl)-2-(phenoxymethyl)benzene
CID 173253706
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
1,3-dimethylpyridin-2-one;ethane
CID 91539152
1-methyl-4-[2-[(4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
CID 121331474
1-(phenoxymethyl)naphthalene
CID 588110

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(phenoxymethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(phenoxymethyl)pyridin-2-one (CID 11424456) is 1-methyl-3-(phenoxymethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(phenoxymethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(phenoxymethyl)pyridin-2-one is Cn1cccc(COc2ccccc2)c1=O.
What is the InChIKey of 1-methyl-3-(phenoxymethyl)pyridin-2-one?
The InChIKey is VPMROTSEPIXQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-9-5-6-11(13(14)15)10-16-12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-3-(phenoxymethyl)pyridin-2-one?
1-methyl-3-(phenoxymethyl)pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(phenoxymethyl)pyridin-2-one is sourced from PubChem (CID 11424456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).