5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one

C12H17NO2 — CID 166647748

IUPAC5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
SMILESCc1ccc(=O)n(CCC2CCCO2)c1
InChIInChI=1S/C12H17NO2/c1-10-4-5-12(14)13(9-10)7-6-11-3-2-8-15-11/h4-5,9,11H,2-3,6-8H2,1H3
InChIKeyHPHTVWMSOMVYSW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one

5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one (PubChem CID 166647748) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
PubChem CID166647748
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
SMILESCc1ccc(=O)n(CCC2CCCO2)c1
InChIInChI=1S/C12H17NO2/c1-10-4-5-12(14)13(9-10)7-6-11-3-2-8-15-11/h4-5,9,11H,2-3,6-8H2,1H3
InChIKeyHPHTVWMSOMVYSW-UHFFFAOYSA-N
XLogP1.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
1-(cyclopentylmethyl)-5-methylpyridin-2-one
CID 167142146
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
1-[2-(oxolan-2-yl)ethyl]-3-propan-2-ylimidazol-2-one
CID 116625132
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817
6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582299
1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116546939
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
3-(aminomethyl)-6-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 107073173
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one (CID 166647748) is 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one is Cc1ccc(=O)n(CCC2CCCO2)c1.
What is the InChIKey of 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
The InChIKey is HPHTVWMSOMVYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-4-5-12(14)13(9-10)7-6-11-3-2-8-15-11/h4-5,9,11H,2-3,6-8H2,1H3.
What are the key properties of 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one?
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 166647748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).