1-ethyl-2-(2-oxopropyl)pyridin-4-one

C10H13NO2 — CID 70631361

IUPAC1-ethyl-2-(2-oxopropyl)pyridin-4-one
SMILESCCn1ccc(=O)cc1CC(C)=O
InChIInChI=1S/C10H13NO2/c1-3-11-5-4-10(13)7-9(11)6-8(2)12/h4-5,7H,3,6H2,1-2H3
InChIKeyNJLFQTOHVLVZFY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds3

About 1-ethyl-2-(2-oxopropyl)pyridin-4-one

1-ethyl-2-(2-oxopropyl)pyridin-4-one (PubChem CID 70631361) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-ethyl-2-(2-oxopropyl)pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-2-(2-oxopropyl)pyridin-4-one
PubChem CID70631361
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-ethyl-2-(2-oxopropyl)pyridin-4-one
SMILESCCn1ccc(=O)cc1CC(C)=O
InChIInChI=1S/C10H13NO2/c1-3-11-5-4-10(13)7-9(11)6-8(2)12/h4-5,7H,3,6H2,1-2H3
InChIKeyNJLFQTOHVLVZFY-UHFFFAOYSA-N
XLogP1.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-Dihydropyrrol-1-yl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
CID 15664197
2-Ethyl-1-methylpyridin-4-one
CID 13524147
3-Diethylaminoquinone
CID 15209872
1,2,5-Trimethylpyridin-4-one
CID 20671440
2-Di-n-butylamino-p-benzochinon
CID 23238089
Pyrido[1,2-a]azepin-2-one
CID 70479278
1,2,6-Trimethyldihydropyridin-4-one
CID 12291212
1-[(E)-hex-4-enoyl]-2,3-dihydropyridin-4-one
CID 122375671
1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one
CID 122375673
1-butyl-2,6-dimethylpyridin-4(1H)-one
CID 21823180
3,4-Dihydroquinolizin-2-one
CID 19840729
1,6-Dimethyl-2,3-dihydropyridin-4-one
CID 23009022

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-oxopropyl)pyridin-4-one?
The IUPAC name of 1-ethyl-2-(2-oxopropyl)pyridin-4-one (CID 70631361) is 1-ethyl-2-(2-oxopropyl)pyridin-4-one.
What is the SMILES notation for 1-ethyl-2-(2-oxopropyl)pyridin-4-one?
The canonical SMILES for 1-ethyl-2-(2-oxopropyl)pyridin-4-one is CCn1ccc(=O)cc1CC(C)=O.
What is the InChIKey of 1-ethyl-2-(2-oxopropyl)pyridin-4-one?
The InChIKey is NJLFQTOHVLVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-11-5-4-10(13)7-9(11)6-8(2)12/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-2-(2-oxopropyl)pyridin-4-one?
1-ethyl-2-(2-oxopropyl)pyridin-4-one has a molecular weight of 179.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-oxopropyl)pyridin-4-one is sourced from PubChem (CID 70631361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).