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

C7H11NO — CID 57073546

IUPAC2-ethyl-4,5-dihydro-2H-pyridin-3-one
SMILESCCC1N=CCCC1=O
InChIInChI=1S/C7H11NO/c1-2-6-7(9)4-3-5-8-6/h5-6H,2-4H2,1H3
InChIKeyNJXOFDZBYKVFLP-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.20
Rot. Bonds1

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

2-ethyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 57073546) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name2-ethyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID57073546
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethyl-4,5-dihydro-2H-pyridin-3-one
SMILESCCC1N=CCCC1=O
InChIInChI=1S/C7H11NO/c1-2-6-7(9)4-3-5-8-6/h5-6H,2-4H2,1H3
InChIKeyNJXOFDZBYKVFLP-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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Related Compounds

1-(3,4-Dihydro-2H-pyrrol-2-yl)ethan-1-one
CID 15801179
1-(2,3,4,5-Tetrahydropyridin-2-yl)ethanone
CID 11205753
2,5-Dimethyl-2,4-dihydropyrrol-3-one
CID 21031101
4,5-dihydro-2H-pyridin-3-one
CID 56634477
2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 57004777
2-methyl-3,5-dihydro-2H-pyridin-4-one
CID 57079119
2-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57208150
2-tert-butyl-4,5-dihydro-2H-pyridin-3-one
CID 57256695
6-methyl-4,5-dihydro-2H-pyridin-3-one
CID 58035441
1-(2,3,4,5-Tetrahydropyridin-2-yl)propan-1-one
CID 70024503
(2S)-2-(methylideneamino)hexan-3-one
CID 87514811
2,6-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 142706917

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 2-ethyl-4,5-dihydro-2H-pyridin-3-one (CID 57073546) is 2-ethyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 2-ethyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 2-ethyl-4,5-dihydro-2H-pyridin-3-one is CCC1N=CCCC1=O.
What is the InChIKey of 2-ethyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is NJXOFDZBYKVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-7(9)4-3-5-8-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-ethyl-4,5-dihydro-2H-pyridin-3-one?
2-ethyl-4,5-dihydro-2H-pyridin-3-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 2-ethyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 57073546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).