2-ethyl-4,6-dimethyl-2H-pyridin-3-one

C9H13NO — CID 150459104

IUPAC2-ethyl-4,6-dimethyl-2H-pyridin-3-one
SMILESCCC1N=C(C)C=C(C)C1=O
InChIInChI=1S/C9H13NO/c1-4-8-9(11)6(2)5-7(3)10-8/h5,8H,4H2,1-3H3
InChIKeyHPKHCADWNUHPEO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.75
Rot. Bonds1

About 2-ethyl-4,6-dimethyl-2H-pyridin-3-one

2-ethyl-4,6-dimethyl-2H-pyridin-3-one (PubChem CID 150459104) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethyl-2H-pyridin-3-one.

Molecular Properties

Compound Name2-ethyl-4,6-dimethyl-2H-pyridin-3-one
PubChem CID150459104
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-ethyl-4,6-dimethyl-2H-pyridin-3-one
SMILESCCC1N=C(C)C=C(C)C1=O
InChIInChI=1S/C9H13NO/c1-4-8-9(11)6(2)5-7(3)10-8/h5,8H,4H2,1-3H3
InChIKeyHPKHCADWNUHPEO-UHFFFAOYSA-N
XLogP1.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-dimethyl-2H-pyridin-3-one?
The IUPAC name of 2-ethyl-4,6-dimethyl-2H-pyridin-3-one (CID 150459104) is 2-ethyl-4,6-dimethyl-2H-pyridin-3-one.
What is the SMILES notation for 2-ethyl-4,6-dimethyl-2H-pyridin-3-one?
The canonical SMILES for 2-ethyl-4,6-dimethyl-2H-pyridin-3-one is CCC1N=C(C)C=C(C)C1=O.
What is the InChIKey of 2-ethyl-4,6-dimethyl-2H-pyridin-3-one?
The InChIKey is HPKHCADWNUHPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-9(11)6(2)5-7(3)10-8/h5,8H,4H2,1-3H3.
What are the key properties of 2-ethyl-4,6-dimethyl-2H-pyridin-3-one?
2-ethyl-4,6-dimethyl-2H-pyridin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dimethyl-2H-pyridin-3-one is sourced from PubChem (CID 150459104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).