5-ethyl-1-methyl-2,3-dihydropyridin-6-one

C8H13NO — CID 11007982

IUPAC5-ethyl-1-methyl-2,3-dihydropyridin-6-one
SMILESCCC1=CCCN(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-9(2)8(7)10/h5H,3-4,6H2,1-2H3
InChIKeyNAQGMNFWXYCYRV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

About 5-ethyl-1-methyl-2,3-dihydropyridin-6-one

5-ethyl-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 11007982) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-ethyl-1-methyl-2,3-dihydropyridin-6-one
PubChem CID11007982
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-ethyl-1-methyl-2,3-dihydropyridin-6-one
SMILESCCC1=CCCN(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-9(2)8(7)10/h5H,3-4,6H2,1-2H3
InChIKeyNAQGMNFWXYCYRV-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 5-ethyl-1-methyl-2,3-dihydropyridin-6-one (CID 11007982) is 5-ethyl-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-ethyl-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-ethyl-1-methyl-2,3-dihydropyridin-6-one is CCC1=CCCN(C)C1=O.
What is the InChIKey of 5-ethyl-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is NAQGMNFWXYCYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-5-4-6-9(2)8(7)10/h5H,3-4,6H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2,3-dihydropyridin-6-one?
5-ethyl-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 139.20 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 5-ethyl-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 11007982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).