4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one

C8H13NO — CID 123322697

IUPAC4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCC1=C(C)C(=O)NCC1
InChIInChI=1S/C8H13NO/c1-3-7-4-5-9-8(10)6(7)2/h3-5H2,1-2H3,(H,9,10)
InChIKeyDLZDBEJMFZJLNA-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds1

About 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one

4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 123322697) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID123322697
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCC1=C(C)C(=O)NCC1
InChIInChI=1S/C8H13NO/c1-3-7-4-5-9-8(10)6(7)2/h3-5H2,1-2H3,(H,9,10)
InChIKeyDLZDBEJMFZJLNA-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-ethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
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ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
4-ethyl-2,3-dihydro-1H-pyridin-6-one
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ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one (CID 123322697) is 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one is CCC1=C(C)C(=O)NCC1.
What is the InChIKey of 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is DLZDBEJMFZJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-4-5-9-8(10)6(7)2/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one?
4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 123322697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).