3-ethyl-3H-pyridin-2-one

C7H9NO — CID 85438676

IUPAC3-ethyl-3H-pyridin-2-one
SMILESCCC1C=CC=NC1=O
InChIInChI=1S/C7H9NO/c1-2-6-4-3-5-8-7(6)9/h3-6H,2H2,1H3
InChIKeyCETILODXMLRQGC-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.18
Rot. Bonds1

About 3-ethyl-3H-pyridin-2-one

3-ethyl-3H-pyridin-2-one (PubChem CID 85438676) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-ethyl-3H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-3H-pyridin-2-one
PubChem CID85438676
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-ethyl-3H-pyridin-2-one
SMILESCCC1C=CC=NC1=O
InChIInChI=1S/C7H9NO/c1-2-6-4-3-5-8-7(6)9/h3-6H,2H2,1H3
InChIKeyCETILODXMLRQGC-UHFFFAOYSA-N
XLogP1.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3H-pyridin-2-one
CID 4362847
8aH-isoquinolin-1-one
CID 45051642
ethane;4-methyl-8aH-isoquinolin-1-one
CID 56630927
4-methyl-8aH-isoquinolin-1-one
CID 56630928
1-(2,3-Dihydropyridin-3-yl)ethanone
CID 57313014
3,3-Dimethylpyridin-2-one
CID 69704256
7,8-dimethyl-10aH-benzo[g]isoquinolin-1-one
CID 72475894
3-propyl-3H-pyridin-2-one
CID 73666158
3,5-diethyl-3H-pyridin-2-one
CID 73723030
3-tert-butyl-3H-pyridin-2-one
CID 76611778
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
6,7-dimethyl-8aH-isoquinolin-1-one
CID 85279786

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3H-pyridin-2-one?
The IUPAC name of 3-ethyl-3H-pyridin-2-one (CID 85438676) is 3-ethyl-3H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-3H-pyridin-2-one?
The canonical SMILES for 3-ethyl-3H-pyridin-2-one is CCC1C=CC=NC1=O.
What is the InChIKey of 3-ethyl-3H-pyridin-2-one?
The InChIKey is CETILODXMLRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-4-3-5-8-7(6)9/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-3H-pyridin-2-one?
3-ethyl-3H-pyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3H-pyridin-2-one is sourced from PubChem (CID 85438676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).