6-ethyl-3,5-dihydro-2H-pyridin-4-one

C7H11NO — CID 20707265

IUPAC6-ethyl-3,5-dihydro-2H-pyridin-4-one
SMILESCCC1=NCCC(=O)C1
InChIInChI=1S/C7H11NO/c1-2-6-5-7(9)3-4-8-6/h2-5H2,1H3
InChIKeyZAUXRRUZIRFWSR-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.20
Rot. Bonds1

About 6-ethyl-3,5-dihydro-2H-pyridin-4-one

6-ethyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 20707265) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-ethyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name6-ethyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID20707265
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-ethyl-3,5-dihydro-2H-pyridin-4-one
SMILESCCC1=NCCC(=O)C1
InChIInChI=1S/C7H11NO/c1-2-6-5-7(9)3-4-8-6/h2-5H2,1H3
InChIKeyZAUXRRUZIRFWSR-UHFFFAOYSA-N
XLogP1.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 6-ethyl-3,5-dihydro-2H-pyridin-4-one (CID 20707265) is 6-ethyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 6-ethyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 6-ethyl-3,5-dihydro-2H-pyridin-4-one is CCC1=NCCC(=O)C1.
What is the InChIKey of 6-ethyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is ZAUXRRUZIRFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-5-7(9)3-4-8-6/h2-5H2,1H3.
What are the key properties of 6-ethyl-3,5-dihydro-2H-pyridin-4-one?
6-ethyl-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 20707265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).