1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one

C9H13NO2 — CID 13785796

IUPAC1-(2-hydroxyethyl)-4,6-dimethylpyridin-2-one
SMILESCC1=CC(=O)N(C(=C1)C)CCO
InChIInChI=1S/C9H13NO2/c1-7-5-8(2)10(3-4-11)9(12)6-7/h5-6,11H,3-4H2,1-2H3
InChIKeyCYJQPEJYDZJTGY-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.00
Rot. Bonds2

About 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one

1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one (PubChem CID 13785796) has the molecular formula C9H13NO2 and a molecular weight of 167.20 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one
PubChem CID13785796
Molecular FormulaC9H13NO2
Molecular Weight167.20 g/mol
Exact Mass167.09
IUPAC Name1-(2-hydroxyethyl)-4,6-dimethylpyridin-2-one
SMILESCC1=CC(=O)N(C(=C1)C)CCO
InChIInChI=1S/C9H13NO2/c1-7-5-8(2)10(3-4-11)9(12)6-7/h5-6,11H,3-4H2,1-2H3
InChIKeyCYJQPEJYDZJTGY-UHFFFAOYSA-N
XLogP0.00
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity253

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxy-propyl)-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
CID 3149259
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
1-(2-Hydroxyethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 11816360
1-(2-Hydroxyethyl)-6-methylpyridin-2-one
CID 13651771
6-Hydroxy-1-(1-hydroxypropan-2-yl)-4-methylpyridin-2-one
CID 20294234
6-Hydroxy-1-(2-methoxyethyl)-4-methylpyridin-2-one
CID 20562285
1,4-Diethyl-6-hydroxypyridin-2-one
CID 20574986
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-2(1H)-pyridinone
CID 21264862
5-Ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 23338659
6-Hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one
CID 23338683
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)acetic acid
CID 46785850
1-Hydroxy-2-(2-hydroxyethyl)isoquinolin-3-one
CID 53726257

Frequently Asked Questions

What is the IUPAC name of 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one?
The IUPAC name of 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one (CID 13785796) is 1-(2-hydroxyethyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one?
The canonical SMILES for 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one is CC1=CC(=O)N(C(=C1)C)CCO.
What is the InChIKey of 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one?
The InChIKey is CYJQPEJYDZJTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-5-8(2)10(3-4-11)9(12)6-7/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one?
1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one has a molecular weight of 167.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Hydroxyethyl)-4,6-dimethylpyridin-2(1H)-one is sourced from PubChem (CID 13785796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).