2-ethyl-2,3-dihydro-1H-pyridin-4-one

C7H11NO — CID 55300096

IUPAC2-ethyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCC1CC(=O)C=CN1
InChIInChI=1S/C7H11NO/c1-2-6-5-7(9)3-4-8-6/h3-4,6,8H,2,5H2,1H3
InChIKeyZASYDEWYZUHPEY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 2-ethyl-2,3-dihydro-1H-pyridin-4-one

2-ethyl-2,3-dihydro-1H-pyridin-4-one (PubChem CID 55300096) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-2,3-dihydro-1H-pyridin-4-one
PubChem CID55300096
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCC1CC(=O)C=CN1
InChIInChI=1S/C7H11NO/c1-2-6-5-7(9)3-4-8-6/h3-4,6,8H,2,5H2,1H3
InChIKeyZASYDEWYZUHPEY-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-2,3-dihydro-1H-pyridin-4-one (CID 55300096) is 2-ethyl-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-2,3-dihydro-1H-pyridin-4-one is CCC1CC(=O)C=CN1.
What is the InChIKey of 2-ethyl-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is ZASYDEWYZUHPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-5-7(9)3-4-8-6/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydro-1H-pyridin-4-one?
2-ethyl-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 55300096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).