5-ethyl-1,3-dimethylpyridin-2-one

C9H13NO — CID 20872604

IUPAC5-ethyl-1,3-dimethylpyridin-2-one
SMILESCCc1cc(C)c(=O)n(C)c1
InChIInChI=1S/C9H13NO/c1-4-8-5-7(2)9(11)10(3)6-8/h5-6H,4H2,1-3H3
InChIKeyHBDFZYUQNPAMOC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.26
Rot. Bonds1

About 5-ethyl-1,3-dimethylpyridin-2-one

5-ethyl-1,3-dimethylpyridin-2-one (PubChem CID 20872604) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-1,3-dimethylpyridin-2-one
PubChem CID20872604
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-ethyl-1,3-dimethylpyridin-2-one
SMILESCCc1cc(C)c(=O)n(C)c1
InChIInChI=1S/C9H13NO/c1-4-8-5-7(2)9(11)10(3)6-8/h5-6H,4H2,1-3H3
InChIKeyHBDFZYUQNPAMOC-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-ethyl-1,3-dimethylpyridin-2-one (CID 20872604) is 5-ethyl-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-ethyl-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-ethyl-1,3-dimethylpyridin-2-one is CCc1cc(C)c(=O)n(C)c1.
What is the InChIKey of 5-ethyl-1,3-dimethylpyridin-2-one?
The InChIKey is HBDFZYUQNPAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-5-7(2)9(11)10(3)6-8/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,3-dimethylpyridin-2-one?
5-ethyl-1,3-dimethylpyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 20872604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).