1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one

C11H17NO — CID 165398418

IUPAC1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one
SMILESCCn1ccc(C)c(C(C)C)c1=O
InChIInChI=1S/C11H17NO/c1-5-12-7-6-9(4)10(8(2)3)11(12)13/h6-8H,5H2,1-4H3
InChIKeyYCRQBCQFFUGDMU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.30
Rot. Bonds2

About 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one

1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 165398418) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one
PubChem CID165398418
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one
SMILESCCn1ccc(C)c(C(C)C)c1=O
InChIInChI=1S/C11H17NO/c1-5-12-7-6-9(4)10(8(2)3)11(12)13/h6-8H,5H2,1-4H3
InChIKeyYCRQBCQFFUGDMU-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159085099
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CID 68540810
1-ethyl-3-methylpyrazin-2-one
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5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
CID 118948928
6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
CID 177347775
bis(1-ethyl-3-hydroxy-2-methylpyridin-4-one);oxovanadium
CID 10883182
1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione
CID 166717073
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide
CID 89384903

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one (CID 165398418) is 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one is CCn1ccc(C)c(C(C)C)c1=O.
What is the InChIKey of 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is YCRQBCQFFUGDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-12-7-6-9(4)10(8(2)3)11(12)13/h6-8H,5H2,1-4H3.
What are the key properties of 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one?
1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 165398418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).