1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one

C11H15NO4 — CID 167095305

IUPAC1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one
SMILESCO[C@H]1C[C@H](n2ccc(=O)cc2)O[C@@H]1CO
InChIInChI=1S/C11H15NO4/c1-15-9-6-11(16-10(9)7-13)12-4-2-8(14)3-5-12/h2-5,9-11,13H,6-7H2,1H3/t9-,10+,11+/m0/s1
InChIKeyZDWCMDVYFTVVAI-HBNTYKKESA-N
MW225.24 g/mol
LogP0.14
Rot. Bonds3

About 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one

1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one (PubChem CID 167095305) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one
PubChem CID167095305
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one
SMILESCO[C@H]1C[C@H](n2ccc(=O)cc2)O[C@@H]1CO
InChIInChI=1S/C11H15NO4/c1-15-9-6-11(16-10(9)7-13)12-4-2-8(14)3-5-12/h2-5,9-11,13H,6-7H2,1H3/t9-,10+,11+/m0/s1
InChIKeyZDWCMDVYFTVVAI-HBNTYKKESA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 46876104
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
N-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 117627783
N-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 118016755
N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 118911940
3-Fluoro-4-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]but-3-en-2-one
CID 123510581
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788440
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788466
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788499
1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one
CID 165005705
1-(beta-D-Ribofuranosyl)-pyridin-4-one-5'-phosphate
CID 49867441
1-(2-Deoxypentofuranosyl)pyridin-4(1h)-one
CID 286491

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one (CID 167095305) is 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one is CO[C@H]1C[C@H](n2ccc(=O)cc2)O[C@@H]1CO.
What is the InChIKey of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one?
The InChIKey is ZDWCMDVYFTVVAI-HBNTYKKESA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-6-11(16-10(9)7-13)12-4-2-8(14)3-5-12/h2-5,9-11,13H,6-7H2,1H3/t9-,10+,11+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one?
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one has a molecular weight of 225.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 167095305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).