1,3-dimethyl-5-propanoylpyridin-2-one

C10H13NO2 — CID 58403026

IUPAC1,3-dimethyl-5-propanoylpyridin-2-one
SMILESCCC(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C10H13NO2/c1-4-9(12)8-5-7(2)10(13)11(3)6-8/h5-6H,4H2,1-3H3
InChIKeyGJUDICCBAIVFRR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.29
Rot. Bonds2

About 1,3-dimethyl-5-propanoylpyridin-2-one

1,3-dimethyl-5-propanoylpyridin-2-one (PubChem CID 58403026) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-propanoylpyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propanoylpyridin-2-one
PubChem CID58403026
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1,3-dimethyl-5-propanoylpyridin-2-one
SMILESCCC(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C10H13NO2/c1-4-9(12)8-5-7(2)10(13)11(3)6-8/h5-6H,4H2,1-3H3
InChIKeyGJUDICCBAIVFRR-UHFFFAOYSA-N
XLogP1.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Acetyl-1-methylpyridin-2(1H)-one
CID 14665251
5-Propionylpyridin-2(1H)-one
CID 89672899
5-Butyryl-1-methyl-2(1H)-pyridinone
CID 370862
3-(1-Hydroxyethylidene)-1,4-dimethylpyridine-2,6(1H,3H)-dione
CID 12529528
5-Acetyl-1-cyclopropyl-3-fluoropyridin-2-one
CID 167221008
5-Acetyl-3-fluoro-1-methylpyridin-2-one
CID 167221105
1-Methyl-5-propyl-3-(trifluoromethyl)pyridin-2-one
CID 168930548
1,3,5-Trimethyl-1,2-dihydropyridin-2-one
CID 12465882
5-Ethyl-3-methyl-1-propylpyridin-2-one
CID 13169256
5-(1,1-Difluoro-2-oxopropyl)-1-methylpyridin-2-one
CID 144997310
1-Methyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
CID 172415015
1-Ethyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
CID 172415021

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propanoylpyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-propanoylpyridin-2-one (CID 58403026) is 1,3-dimethyl-5-propanoylpyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-propanoylpyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-propanoylpyridin-2-one is CCC(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 1,3-dimethyl-5-propanoylpyridin-2-one?
The InChIKey is GJUDICCBAIVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-9(12)8-5-7(2)10(13)11(3)6-8/h5-6H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propanoylpyridin-2-one?
1,3-dimethyl-5-propanoylpyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propanoylpyridin-2-one is sourced from PubChem (CID 58403026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).