1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one

C12H19NO2 — CID 79885497

IUPAC1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1[C@@H](CO)C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)12(7-14)13-9(3)5-11(15)6-10(13)4/h5-6,8,12,14H,7H2,1-4H3/t12-/m0/s1
InChIKeyZRIRRNAFUIFIQP-LBPRGKRZSA-N
MW209.29 g/mol
LogP1.65
Rot. Bonds3

About 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one

1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one (PubChem CID 79885497) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one
PubChem CID79885497
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1[C@@H](CO)C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)12(7-14)13-9(3)5-11(15)6-10(13)4/h5-6,8,12,14H,7H2,1-4H3/t12-/m0/s1
InChIKeyZRIRRNAFUIFIQP-LBPRGKRZSA-N
XLogP1.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpyridin-4-one;hydrochloride
CID 89953479
3-hydroxy-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpyridin-4-one;hydrochloride
CID 89953481
2-ethyl-3-hydroxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyridin-4-one;hydrochloride
CID 89953488
2-ethyl-3-hydroxy-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyridin-4-one;hydrochloride
CID 89953489
Pyridin-4(1H)-one, 1-(2-hydroxyethyl)-2,6-dimethyl-
CID 597418
4-[Ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 54324327
(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 88632177
3-hydroxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpyridin-4-one
CID 89953464
3-hydroxy-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpyridin-4-one
CID 89953472
2-ethyl-3-hydroxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyridin-4-one
CID 89953485
2-ethyl-3-hydroxy-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyridin-4-one
CID 89953490
(E)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 20040039

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one (CID 79885497) is 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1[C@@H](CO)C(C)C.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one?
The InChIKey is ZRIRRNAFUIFIQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)12(7-14)13-9(3)5-11(15)6-10(13)4/h5-6,8,12,14H,7H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one?
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).