5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one

C10H13NO4 — CID 58776109

IUPAC5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
SMILESO=c1ccc([C@H]2CC(O)[C@@H](CO)O2)c[nH]1
InChIInChI=1S/C10H13NO4/c12-5-9-7(13)3-8(15-9)6-1-2-10(14)11-4-6/h1-2,4,7-9,12-13H,3,5H2,(H,11,14)/t7?,8-,9-/m1/s1
InChIKeyUOUJGGLDWSBKCD-CFCGPWAMSA-N
MW211.22 g/mol
LogP-0.44
Rot. Bonds2

About 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one

5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one (PubChem CID 58776109) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
PubChem CID58776109
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
SMILESO=c1ccc([C@H]2CC(O)[C@@H](CO)O2)c[nH]1
InChIInChI=1S/C10H13NO4/c12-5-9-7(13)3-8(15-9)6-1-2-10(14)11-4-6/h1-2,4,7-9,12-13H,3,5H2,(H,11,14)/t7?,8-,9-/m1/s1
InChIKeyUOUJGGLDWSBKCD-CFCGPWAMSA-N
XLogP-0.44
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
CID 135021118
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 21121800
(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 101183405
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 139054704
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703
(2R,5S)-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
CID 89244579
(2R,3S,5R)-2-(hydroxymethyl)-5-(7-phenylnaphthalen-2-yl)oxolan-3-ol
CID 23661140
6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142087831

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one (CID 58776109) is 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one is O=c1ccc([C@H]2CC(O)[C@@H](CO)O2)c[nH]1.
What is the InChIKey of 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
The InChIKey is UOUJGGLDWSBKCD-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H13NO4/c12-5-9-7(13)3-8(15-9)6-1-2-10(14)11-4-6/h1-2,4,7-9,12-13H,3,5H2,(H,11,14)/t7?,8-,9-/m1/s1.
What are the key properties of 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 211.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58776109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).