6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one

C15H15NO — CID 3452610

IUPAC6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(-c2ccc(C)cc2)cccc1=O
InChIInChI=1S/C15H15NO/c1-3-11-16-14(5-4-6-15(16)17)13-9-7-12(2)8-10-13/h3-10H,1,11H2,2H3
InChIKeyBWUHNQLSWFDXLV-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.01
Rot. Bonds3

About 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one

6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one (PubChem CID 3452610) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one
PubChem CID3452610
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(-c2ccc(C)cc2)cccc1=O
InChIInChI=1S/C15H15NO/c1-3-11-16-14(5-4-6-15(16)17)13-9-7-12(2)8-10-13/h3-10H,1,11H2,2H3
InChIKeyBWUHNQLSWFDXLV-UHFFFAOYSA-N
XLogP3.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one (CID 3452610) is 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one is C=CCn1c(-c2ccc(C)cc2)cccc1=O.
What is the InChIKey of 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one?
The InChIKey is BWUHNQLSWFDXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-11-16-14(5-4-6-15(16)17)13-9-7-12(2)8-10-13/h3-10H,1,11H2,2H3.
What are the key properties of 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one?
6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one is sourced from PubChem (CID 3452610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).