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

C9H13NO — CID 86005798

IUPAC1-ethyl-2,6-dimethylpyridin-4-one
SMILESCCn1c(C)cc(=O)cc1C
InChIInChI=1S/C9H13NO/c1-4-10-7(2)5-9(11)6-8(10)3/h5-6H,4H2,1-3H3
InChIKeyKYNRQQVCEMULHV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.49
Rot. Bonds1

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

1-ethyl-2,6-dimethylpyridin-4-one (PubChem CID 86005798) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-ethyl-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-ethyl-2,6-dimethylpyridin-4-one
PubChem CID86005798
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-ethyl-2,6-dimethylpyridin-4-one
SMILESCCn1c(C)cc(=O)cc1C
InChIInChI=1S/C9H13NO/c1-4-10-7(2)5-9(11)6-8(10)3/h5-6H,4H2,1-3H3
InChIKeyKYNRQQVCEMULHV-UHFFFAOYSA-N
XLogP1.49
TPSA22.00 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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-ethyl-2,6-dimethylpyridin-4-one (CID 86005798) is 1-ethyl-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-ethyl-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-ethyl-2,6-dimethylpyridin-4-one is CCn1c(C)cc(=O)cc1C.
What is the InChIKey of 1-ethyl-2,6-dimethylpyridin-4-one?
The InChIKey is KYNRQQVCEMULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-10-7(2)5-9(11)6-8(10)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,6-dimethylpyridin-4-one?
1-ethyl-2,6-dimethylpyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 86005798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).