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

C8H11NO — CID 76844676

IUPAC3-ethyl-6-methyl-3H-pyridin-2-one
SMILESCCC1C=CC(C)=NC1=O
InChIInChI=1S/C8H11NO/c1-3-7-5-4-6(2)9-8(7)10/h4-5,7H,3H2,1-2H3
InChIKeyMTTWSYOIZAMTGH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.57
Rot. Bonds1

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

3-ethyl-6-methyl-3H-pyridin-2-one (PubChem CID 76844676) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-ethyl-6-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-3H-pyridin-2-one
PubChem CID76844676
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-ethyl-6-methyl-3H-pyridin-2-one
SMILESCCC1C=CC(C)=NC1=O
InChIInChI=1S/C8H11NO/c1-3-7-5-4-6(2)9-8(7)10/h4-5,7H,3H2,1-2H3
InChIKeyMTTWSYOIZAMTGH-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-3H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-3H-pyridin-2-one (CID 76844676) is 3-ethyl-6-methyl-3H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-3H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-3H-pyridin-2-one is CCC1C=CC(C)=NC1=O.
What is the InChIKey of 3-ethyl-6-methyl-3H-pyridin-2-one?
The InChIKey is MTTWSYOIZAMTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7-5-4-6(2)9-8(7)10/h4-5,7H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-3H-pyridin-2-one?
3-ethyl-6-methyl-3H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-3H-pyridin-2-one is sourced from PubChem (CID 76844676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).