5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one

C11H15NO5 — CID 123656318

IUPAC5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
SMILESCOC1C(c2ccc(=O)[nH]c2)OC(CO)C1O
InChIInChI=1S/C11H15NO5/c1-16-11-9(15)7(5-13)17-10(11)6-2-3-8(14)12-4-6/h2-4,7,9-11,13,15H,5H2,1H3,(H,12,14)
InChIKeyHAVPOOBAAPCKQY-UHFFFAOYSA-N
MW241.24 g/mol
LogP-0.82
Rot. Bonds3

About 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one

5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one (PubChem CID 123656318) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
PubChem CID123656318
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
SMILESCOC1C(c2ccc(=O)[nH]c2)OC(CO)C1O
InChIInChI=1S/C11H15NO5/c1-16-11-9(15)7(5-13)17-10(11)6-2-3-8(14)12-4-6/h2-4,7,9-11,13,15H,5H2,1H3,(H,12,14)
InChIKeyHAVPOOBAAPCKQY-UHFFFAOYSA-N
XLogP-0.82
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one (CID 123656318) is 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one is COC1C(c2ccc(=O)[nH]c2)OC(CO)C1O.
What is the InChIKey of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
The InChIKey is HAVPOOBAAPCKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-16-11-9(15)7(5-13)17-10(11)6-2-3-8(14)12-4-6/h2-4,7,9-11,13,15H,5H2,1H3,(H,12,14).
What are the key properties of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 241.24 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 123656318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).