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

C8H13NO — CID 91192071

IUPAC6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCCC1=NCCC(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-7-8(10)6(2)4-5-9-7/h6H,3-5H2,1-2H3
InChIKeyHFHHITJCMZOFCT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

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

6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 91192071) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID91192071
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCCC1=NCCC(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-7-8(10)6(2)4-5-9-7/h6H,3-5H2,1-2H3
InChIKeyHFHHITJCMZOFCT-UHFFFAOYSA-N
XLogP1.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
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4-(2-Ethylhexylimino)pentan-2-one
CID 118001969
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one (CID 91192071) is 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one is CCC1=NCCC(C)C1=O.
What is the InChIKey of 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is HFHHITJCMZOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-8(10)6(2)4-5-9-7/h6H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 91192071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).