5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione

C12H15NO5 — CID 24883911

IUPAC5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
SMILESC=CC1=CC([C@@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
InChIInChI=1S/C12H15NO5/c1-2-6-3-7(12(17)13-11(6)16)9-4-8(15)10(5-14)18-9/h2-3,7-10,14-15H,1,4-5H2,(H,13,16,17)/t7?,8-,9-,10+/m0/s1
InChIKeyUOUPFZWNLPIJCH-JVSARINNSA-N
MW253.25 g/mol
LogP-1.12
Rot. Bonds3

About 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione

5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione (PubChem CID 24883911) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
PubChem CID24883911
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
SMILESC=CC1=CC([C@@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
InChIInChI=1S/C12H15NO5/c1-2-6-3-7(12(17)13-11(6)16)9-4-8(15)10(5-14)18-9/h2-3,7-10,14-15H,1,4-5H2,(H,13,16,17)/t7?,8-,9-,10+/m0/s1
InChIKeyUOUPFZWNLPIJCH-JVSARINNSA-N
XLogP-1.12
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-3H-pyridine-2,6-dione
CID 58672709
3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 163695430
5-ethenyl-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 89341494
[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
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
ethane;5-ethenyl-1-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 169131202
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylidenepyrimidin-1-ium-2,4-dione
CID 102431465
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;prop-1-ene
CID 67826659
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586
3-[3-(hydroxymethyl)-2-methyl-1,2-oxazolidin-5-yl]-5-methyl-3H-pyridine-2,6-dione
CID 21040898
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,3-diazinane-2,4-dione
CID 87928840
3-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 20716750

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione?
The IUPAC name of 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione (CID 24883911) is 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione.
What is the SMILES notation for 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione?
The canonical SMILES for 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione is C=CC1=CC([C@@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O.
What is the InChIKey of 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione?
The InChIKey is UOUPFZWNLPIJCH-JVSARINNSA-N. The full InChI is InChI=1S/C12H15NO5/c1-2-6-3-7(12(17)13-11(6)16)9-4-8(15)10(5-14)18-9/h2-3,7-10,14-15H,1,4-5H2,(H,13,16,17)/t7?,8-,9-,10+/m0/s1.
What are the key properties of 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione?
5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione has a molecular weight of 253.25 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione is sourced from PubChem (CID 24883911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).