3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one

C8H11NO2 — CID 70180372

IUPAC3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one
SMILESCCC1C=NC(C)=C(O)C1=O
InChIInChI=1S/C8H11NO2/c1-3-6-4-9-5(2)7(10)8(6)11/h4,6,10H,3H2,1-2H3
InChIKeyDQZFGAUMRPOILA-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.46
Rot. Bonds1

About 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one

3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one (PubChem CID 70180372) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one
PubChem CID70180372
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one
SMILESCCC1C=NC(C)=C(O)C1=O
InChIInChI=1S/C8H11NO2/c1-3-6-4-9-5(2)7(10)8(6)11/h4,6,10H,3H2,1-2H3
InChIKeyDQZFGAUMRPOILA-UHFFFAOYSA-N
XLogP1.46
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one?
The IUPAC name of 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one (CID 70180372) is 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one.
What is the SMILES notation for 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one?
The canonical SMILES for 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one is CCC1C=NC(C)=C(O)C1=O.
What is the InChIKey of 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one?
The InChIKey is DQZFGAUMRPOILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-4-9-5(2)7(10)8(6)11/h4,6,10H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one?
3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-6-methyl-3H-pyridin-4-one is sourced from PubChem (CID 70180372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).