3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one

C15H17NO — CID 83130898

IUPAC3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2c[nH]c(=O)c(C)c2)c(C)c1
InChIInChI=1S/C15H17NO/c1-9-5-10(2)14(11(3)6-9)13-7-12(4)15(17)16-8-13/h5-8H,1-4H3,(H,16,17)
InChIKeyWLEBBJWYDIWBHU-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.28
Rot. Bonds1

About 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one

3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one (PubChem CID 83130898) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
PubChem CID83130898
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2c[nH]c(=O)c(C)c2)c(C)c1
InChIInChI=1S/C15H17NO/c1-9-5-10(2)14(11(3)6-9)13-7-12(4)15(17)16-8-13/h5-8H,1-4H3,(H,16,17)
InChIKeyWLEBBJWYDIWBHU-UHFFFAOYSA-N
XLogP3.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one (CID 83130898) is 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one is Cc1cc(C)c(-c2c[nH]c(=O)c(C)c2)c(C)c1.
What is the InChIKey of 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
The InChIKey is WLEBBJWYDIWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-9-5-10(2)14(11(3)6-9)13-7-12(4)15(17)16-8-13/h5-8H,1-4H3,(H,16,17).
What are the key properties of 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one has a molecular weight of 227.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,6-trimethylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 83130898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).