3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one

C16H19NO — CID 16749546

IUPAC3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(Cc2ccc[nH]c2=O)cc1
InChIInChI=1S/C16H19NO/c1-16(2,3)14-8-6-12(7-9-14)11-13-5-4-10-17-15(13)18/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyRGYFFVASMZKGLX-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.26
Rot. Bonds2

About 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one

3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one (PubChem CID 16749546) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one
PubChem CID16749546
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(Cc2ccc[nH]c2=O)cc1
InChIInChI=1S/C16H19NO/c1-16(2,3)14-8-6-12(7-9-14)11-13-5-4-10-17-15(13)18/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyRGYFFVASMZKGLX-UHFFFAOYSA-N
XLogP3.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one (CID 16749546) is 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one is CC(C)(C)c1ccc(Cc2ccc[nH]c2=O)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one?
The InChIKey is RGYFFVASMZKGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)14-8-6-12(7-9-14)11-13-5-4-10-17-15(13)18/h4-10H,11H2,1-3H3,(H,17,18).
What are the key properties of 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one?
3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 16749546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).