3-ethyl-2,5-dihydro-1H-pyridin-6-one

C7H11NO — CID 55288091

IUPAC3-ethyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCC1=CCC(=O)NC1
InChIInChI=1S/C7H11NO/c1-2-6-3-4-7(9)8-5-6/h3H,2,4-5H2,1H3,(H,8,9)
InChIKeyPSGOWGXYCKYZNJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 3-ethyl-2,5-dihydro-1H-pyridin-6-one

3-ethyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 55288091) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-ethyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID55288091
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCC1=CCC(=O)NC1
InChIInChI=1S/C7H11NO/c1-2-6-3-4-7(9)8-5-6/h3H,2,4-5H2,1H3,(H,8,9)
InChIKeyPSGOWGXYCKYZNJ-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
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 ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-ethyl-2,5-dihydro-1H-pyridin-6-one (CID 55288091) is 3-ethyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-ethyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-ethyl-2,5-dihydro-1H-pyridin-6-one is CCC1=CCC(=O)NC1.
What is the InChIKey of 3-ethyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is PSGOWGXYCKYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-3-4-7(9)8-5-6/h3H,2,4-5H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-2,5-dihydro-1H-pyridin-6-one?
3-ethyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 55288091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).