1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one

C9H13NO2 — CID 20518092

IUPAC1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C9H13NO2/c1-4-10-8(11)5-6(2)7(3)9(10)12/h5,12H,4H2,1-3H3
InChIKeyYTSHIXRBLYMIAR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.19
Rot. Bonds1

About 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one

1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one (PubChem CID 20518092) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one
PubChem CID20518092
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C9H13NO2/c1-4-10-8(11)5-6(2)7(3)9(10)12/h5,12H,4H2,1-3H3
InChIKeyYTSHIXRBLYMIAR-UHFFFAOYSA-N
XLogP1.19
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one (CID 20518092) is 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one is CCn1c(O)c(C)c(C)cc1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one?
The InChIKey is YTSHIXRBLYMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-10-8(11)5-6(2)7(3)9(10)12/h5,12H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one?
1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 20518092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).