1-acetyl-2-ethyl-2,3-dihydropyridin-4-one

C9H13NO2 — CID 15414721

IUPAC1-acetyl-2-ethyl-2,3-dihydropyridin-4-one
SMILESCCC1CC(=O)C=CN1C(C)=O
InChIInChI=1S/C9H13NO2/c1-3-8-6-9(12)4-5-10(8)7(2)11/h4-5,8H,3,6H2,1-2H3
InChIKeyMLWWESNGAAIEHL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds1

About 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one

1-acetyl-2-ethyl-2,3-dihydropyridin-4-one (PubChem CID 15414721) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-acetyl-2-ethyl-2,3-dihydropyridin-4-one
PubChem CID15414721
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-acetyl-2-ethyl-2,3-dihydropyridin-4-one
SMILESCCC1CC(=O)C=CN1C(C)=O
InChIInChI=1S/C9H13NO2/c1-3-8-6-9(12)4-5-10(8)7(2)11/h4-5,8H,3,6H2,1-2H3
InChIKeyMLWWESNGAAIEHL-UHFFFAOYSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one (CID 15414721) is 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one is CCC1CC(=O)C=CN1C(C)=O.
What is the InChIKey of 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one?
The InChIKey is MLWWESNGAAIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8-6-9(12)4-5-10(8)7(2)11/h4-5,8H,3,6H2,1-2H3.
What are the key properties of 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one?
1-acetyl-2-ethyl-2,3-dihydropyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-ethyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 15414721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).