4-acetyl-1-ethyl-2,3-dihydropyridin-6-one

C9H13NO2 — CID 121258599

IUPAC4-acetyl-1-ethyl-2,3-dihydropyridin-6-one
SMILESCCN1CCC(C(C)=O)=CC1=O
InChIInChI=1S/C9H13NO2/c1-3-10-5-4-8(7(2)11)6-9(10)12/h6H,3-5H2,1-2H3
InChIKeyUWEPNNHVRSWOAC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds2

About 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one

4-acetyl-1-ethyl-2,3-dihydropyridin-6-one (PubChem CID 121258599) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-acetyl-1-ethyl-2,3-dihydropyridin-6-one
PubChem CID121258599
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-acetyl-1-ethyl-2,3-dihydropyridin-6-one
SMILESCCN1CCC(C(C)=O)=CC1=O
InChIInChI=1S/C9H13NO2/c1-3-10-5-4-8(7(2)11)6-9(10)12/h6H,3-5H2,1-2H3
InChIKeyUWEPNNHVRSWOAC-UHFFFAOYSA-N
XLogP0.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one (CID 121258599) is 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one is CCN1CCC(C(C)=O)=CC1=O.
What is the InChIKey of 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one?
The InChIKey is UWEPNNHVRSWOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-10-5-4-8(7(2)11)6-9(10)12/h6H,3-5H2,1-2H3.
What are the key properties of 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one?
4-acetyl-1-ethyl-2,3-dihydropyridin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-ethyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 121258599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).