1-(4-methylphenyl)-3-propanoylpyridin-2-one

C15H15NO2 — CID 123475879

IUPAC1-(4-methylphenyl)-3-propanoylpyridin-2-one
SMILESCCC(=O)c1cccn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C15H15NO2/c1-3-14(17)13-5-4-10-16(15(13)18)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3
InChIKeyPGVRYYQVHKLBCQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-methylphenyl)-3-propanoylpyridin-2-one

1-(4-methylphenyl)-3-propanoylpyridin-2-one (PubChem CID 123475879) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-propanoylpyridin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-propanoylpyridin-2-one
PubChem CID123475879
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(4-methylphenyl)-3-propanoylpyridin-2-one
SMILESCCC(=O)c1cccn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C15H15NO2/c1-3-14(17)13-5-4-10-16(15(13)18)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3
InChIKeyPGVRYYQVHKLBCQ-UHFFFAOYSA-N
XLogP2.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-propanoylpyridin-2-one?
The IUPAC name of 1-(4-methylphenyl)-3-propanoylpyridin-2-one (CID 123475879) is 1-(4-methylphenyl)-3-propanoylpyridin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-propanoylpyridin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3-propanoylpyridin-2-one is CCC(=O)c1cccn(-c2ccc(C)cc2)c1=O.
What is the InChIKey of 1-(4-methylphenyl)-3-propanoylpyridin-2-one?
The InChIKey is PGVRYYQVHKLBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-14(17)13-5-4-10-16(15(13)18)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-propanoylpyridin-2-one?
1-(4-methylphenyl)-3-propanoylpyridin-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-propanoylpyridin-2-one is sourced from PubChem (CID 123475879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).