6-ethyl-5-methyl-3H-pyridin-2-one

C8H11NO — CID 90455642

IUPAC6-ethyl-5-methyl-3H-pyridin-2-one
SMILESCCC1=NC(=O)CC=C1C
InChIInChI=1S/C8H11NO/c1-3-7-6(2)4-5-8(10)9-7/h4H,3,5H2,1-2H3
InChIKeyYCVWYIURIATWAB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.71
Rot. Bonds1

About 6-ethyl-5-methyl-3H-pyridin-2-one

6-ethyl-5-methyl-3H-pyridin-2-one (PubChem CID 90455642) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-3H-pyridin-2-one
PubChem CID90455642
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-ethyl-5-methyl-3H-pyridin-2-one
SMILESCCC1=NC(=O)CC=C1C
InChIInChI=1S/C8H11NO/c1-3-7-6(2)4-5-8(10)9-7/h4H,3,5H2,1-2H3
InChIKeyYCVWYIURIATWAB-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-3H-pyridin-2-one?
The IUPAC name of 6-ethyl-5-methyl-3H-pyridin-2-one (CID 90455642) is 6-ethyl-5-methyl-3H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-5-methyl-3H-pyridin-2-one?
The canonical SMILES for 6-ethyl-5-methyl-3H-pyridin-2-one is CCC1=NC(=O)CC=C1C.
What is the InChIKey of 6-ethyl-5-methyl-3H-pyridin-2-one?
The InChIKey is YCVWYIURIATWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7-6(2)4-5-8(10)9-7/h4H,3,5H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-3H-pyridin-2-one?
6-ethyl-5-methyl-3H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3H-pyridin-2-one is sourced from PubChem (CID 90455642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).