3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one

C12H17NO2 — CID 115634011

IUPAC3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
SMILESCc1cccn(CC2CCOCC2)c1=O
InChIInChI=1S/C12H17NO2/c1-10-3-2-6-13(12(10)14)9-11-4-7-15-8-5-11/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyJUNCNLWSFLNCHJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.58
Rot. Bonds2

About 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one

3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one (PubChem CID 115634011) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
PubChem CID115634011
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
SMILESCc1cccn(CC2CCOCC2)c1=O
InChIInChI=1S/C12H17NO2/c1-10-3-2-6-13(12(10)14)9-11-4-7-15-8-5-11/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyJUNCNLWSFLNCHJ-UHFFFAOYSA-N
XLogP1.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-3-methylpyridin-2-one
CID 115746868
1-(2-cyclopropylethyl)-3-methylpyridin-2-one
CID 116621462
2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
CID 121208404
1-(cyclopropylmethyl)-3-ethylpyridin-2-one
CID 178099150
1-cyclopropyl-4-(oxan-4-ylmethyl)pyrazine-2,3-dione
CID 154828814
1-(cyclopropylmethoxymethyl)-3-methylpyridin-2-one
CID 106931100
N-[[1-(oxan-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 66403717
3-(2-methylphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579417
N'-hydroxy-1-(oxan-4-ylmethyl)pyrrole-2-carboximidamide
CID 114654757
4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 66559053
N,N-dicyclohexyl-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 56510273
1-(ethoxymethyl)-3-methylpyridin-2-one
CID 116621434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one (CID 115634011) is 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one is Cc1cccn(CC2CCOCC2)c1=O.
What is the InChIKey of 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
The InChIKey is JUNCNLWSFLNCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-3-2-6-13(12(10)14)9-11-4-7-15-8-5-11/h2-3,6,11H,4-5,7-9H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one?
3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 115634011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).