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

C7H11NO — CID 89096118

IUPAC4-ethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCC1=CC(=O)NCC1
InChIInChI=1S/C7H11NO/c1-2-6-3-4-8-7(9)5-6/h5H,2-4H2,1H3,(H,8,9)
InChIKeyLXJZCVLJZKDVAZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 4-ethyl-2,3-dihydro-1H-pyridin-6-one

4-ethyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 89096118) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID89096118
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-ethyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCC1=CC(=O)NCC1
InChIInChI=1S/C7H11NO/c1-2-6-3-4-8-7(9)5-6/h5H,2-4H2,1H3,(H,8,9)
InChIKeyLXJZCVLJZKDVAZ-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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-ethyl-2,3-dihydro-1H-pyridin-6-one (CID 89096118) is 4-ethyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-ethyl-2,3-dihydro-1H-pyridin-6-one is CCC1=CC(=O)NCC1.
What is the InChIKey of 4-ethyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is LXJZCVLJZKDVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-3-4-8-7(9)5-6/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-2,3-dihydro-1H-pyridin-6-one?
4-ethyl-2,3-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 4-ethyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 89096118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).