1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one

C11H17NO3 — CID 79885402

IUPAC1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(O)CO
InChIInChI=1S/C11H17NO3/c1-8-4-10(14)5-9(2)12(8)6-11(3,15)7-13/h4-5,13,15H,6-7H2,1-3H3
InChIKeyHWIPWKJPWLENMF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.21
Rot. Bonds3

About 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one

1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885402) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
PubChem CID79885402
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(C)(O)CO
InChIInChI=1S/C11H17NO3/c1-8-4-10(14)5-9(2)12(8)6-11(3,15)7-13/h4-5,13,15H,6-7H2,1-3H3
InChIKeyHWIPWKJPWLENMF-UHFFFAOYSA-N
XLogP0.21
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridin-4(1H)-one, 1-(2-hydroxyethyl)-2,6-dimethyl-
CID 597418
1-(2,3-Dihydroxypropyl)-2,3-dimethylpyridin-4-one
CID 59933813
1-(2,3-Dihydroxypropyl)-2-methylpyridin-4-one
CID 70376735
1-(2,3-Dihydroxypropyl)-2,3-dimethylpyridin-4-one;propane
CID 160276314
1-(1-Hydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884590
1-[2-(2-Hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one
CID 79884857
1-(1,3-Dihydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884865
1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
CID 79884967
1-(2,3-Dihydroxypropyl)-2,6-dimethylpyridin-4-one
CID 79885401
1-(2-Hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one
CID 79885492
1-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
CID 79885496
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one
CID 79885497

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one (CID 79885402) is 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(C)(O)CO.
What is the InChIKey of 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is HWIPWKJPWLENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-4-10(14)5-9(2)12(8)6-11(3,15)7-13/h4-5,13,15H,6-7H2,1-3H3.
What are the key properties of 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one?
1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).