1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one

C15H15NO — CID 91248089

IUPAC1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one
SMILESCC=Cc1ccc(=O)n(-c2ccc(C)cc2)c1
InChIInChI=1S/C15H15NO/c1-3-4-13-7-10-15(17)16(11-13)14-8-5-12(2)6-9-14/h3-11H,1-2H3
InChIKeyQIBHSXXUKKHGIY-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.18
Rot. Bonds2

About 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one

1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one (PubChem CID 91248089) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one
PubChem CID91248089
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one
SMILESCC=Cc1ccc(=O)n(-c2ccc(C)cc2)c1
InChIInChI=1S/C15H15NO/c1-3-4-13-7-10-15(17)16(11-13)14-8-5-12(2)6-9-14/h3-11H,1-2H3
InChIKeyQIBHSXXUKKHGIY-UHFFFAOYSA-N
XLogP3.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one?
The IUPAC name of 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one (CID 91248089) is 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one is CC=Cc1ccc(=O)n(-c2ccc(C)cc2)c1.
What is the InChIKey of 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one?
The InChIKey is QIBHSXXUKKHGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-4-13-7-10-15(17)16(11-13)14-8-5-12(2)6-9-14/h3-11H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one?
1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-prop-1-enylpyridin-2-one is sourced from PubChem (CID 91248089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).