1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one

C10H15NO2 — CID 79884967

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1[C@@H](C)CO
InChIInChI=1S/C10H15NO2/c1-7-4-10(13)5-8(2)11(7)9(3)6-12/h4-5,9,12H,6H2,1-3H3/t9-/m0/s1
InChIKeyIANNMHWVODJVEV-VIFPVBQESA-N
MW181.23 g/mol
LogP1.02
Rot. Bonds2

About 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one

1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one (PubChem CID 79884967) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
PubChem CID79884967
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1[C@@H](C)CO
InChIInChI=1S/C10H15NO2/c1-7-4-10(13)5-8(2)11(7)9(3)6-12/h4-5,9,12H,6H2,1-3H3/t9-/m0/s1
InChIKeyIANNMHWVODJVEV-VIFPVBQESA-N
XLogP1.02
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
3-Hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one
CID 18428303
1-Ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
CID 23378015
Pyridin-4(1H)-one, 1-(2-hydroxyethyl)-2,6-dimethyl-
CID 597418
3-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]-2-methylpyridin-4-one;hydrochloride
CID 89953512
2-[Ethyl(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione
CID 90002548
2,6-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-4-one
CID 105649097
1-(3,3-Difluoro-2-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 105649180
1-(2,2-Difluoro-3-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 106172535
1-Ethyl-5-hydroxy-2-(hydroxymethyl)pyridin-4(1H)-one
CID 12468237
3-Hydroxy-1-(3-hydroxypropyl)-2,6-dimethylpyridin-4-one
CID 19786808
3-Hydroxy-1-(1-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 19786810

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one (CID 79884967) is 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1[C@@H](C)CO.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one?
The InChIKey is IANNMHWVODJVEV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-4-10(13)5-8(2)11(7)9(3)6-12/h4-5,9,12H,6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one?
1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).