3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione

C12H17NO4 — CID 58672709

IUPAC3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione
SMILESCCC1OC(C2C=C(C)C(=O)NC2=O)CC1O
InChIInChI=1S/C12H17NO4/c1-3-9-8(14)5-10(17-9)7-4-6(2)11(15)13-12(7)16/h4,7-10,14H,3,5H2,1-2H3,(H,13,15,16)
InChIKeyAAMKISVGYBAVCH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.13
Rot. Bonds2

About 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione

3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione (PubChem CID 58672709) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione
PubChem CID58672709
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione
SMILESCCC1OC(C2C=C(C)C(=O)NC2=O)CC1O
InChIInChI=1S/C12H17NO4/c1-3-9-8(14)5-10(17-9)7-4-6(2)11(15)13-12(7)16/h4,7-10,14H,3,5H2,1-2H3,(H,13,15,16)
InChIKeyAAMKISVGYBAVCH-UHFFFAOYSA-N
XLogP0.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid
CID 174040869
3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 163695430
5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
CID 24883911
3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione
CID 21040898
3-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 20716750
[6-(6-aminohexanoylamino)hexoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
CID 153437536
bis(ethenyl) [(2R,3S,5R)-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)-2-(2,2,2-triphenylethyl)oxolan-3-yl] phosphate
CID 134933270
tert-butyl 2-[hydroxy-[[3-hydroxy-5-(5-methyl-2-methylidene-6-oxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 165073966
3-[5-(deuteriooxymethyl)-4-hydroxyoxolan-2-yl]-1,5-dimethyl-3H-pyridine-2,6-dione
CID 163565652
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
(2S,3R,4aS,8aR)-2-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
CID 10888666
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 174181276

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione (CID 58672709) is 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione is CCC1OC(C2C=C(C)C(=O)NC2=O)CC1O.
What is the InChIKey of 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione?
The InChIKey is AAMKISVGYBAVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-9-8(14)5-10(17-9)7-4-6(2)11(15)13-12(7)16/h4,7-10,14H,3,5H2,1-2H3,(H,13,15,16).
What are the key properties of 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione?
3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione has a molecular weight of 239.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 58672709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).