6-benzyl-3-tert-butyl-3H-pyridin-2-one

C16H19NO — CID 58949526

IUPAC6-benzyl-3-tert-butyl-3H-pyridin-2-one
SMILESCC(C)(C)C1C=CC(Cc2ccccc2)=NC1=O
InChIInChI=1S/C16H19NO/c1-16(2,3)14-10-9-13(17-15(14)18)11-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3
InChIKeyOLSJPRVPTSOPMN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.43
Rot. Bonds2

About 6-benzyl-3-tert-butyl-3H-pyridin-2-one

6-benzyl-3-tert-butyl-3H-pyridin-2-one (PubChem CID 58949526) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-benzyl-3-tert-butyl-3H-pyridin-2-one.

Molecular Properties

Compound Name6-benzyl-3-tert-butyl-3H-pyridin-2-one
PubChem CID58949526
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name6-benzyl-3-tert-butyl-3H-pyridin-2-one
SMILESCC(C)(C)C1C=CC(Cc2ccccc2)=NC1=O
InChIInChI=1S/C16H19NO/c1-16(2,3)14-10-9-13(17-15(14)18)11-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3
InChIKeyOLSJPRVPTSOPMN-UHFFFAOYSA-N
XLogP3.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-tert-butyl-3H-pyridin-2-one?
The IUPAC name of 6-benzyl-3-tert-butyl-3H-pyridin-2-one (CID 58949526) is 6-benzyl-3-tert-butyl-3H-pyridin-2-one.
What is the SMILES notation for 6-benzyl-3-tert-butyl-3H-pyridin-2-one?
The canonical SMILES for 6-benzyl-3-tert-butyl-3H-pyridin-2-one is CC(C)(C)C1C=CC(Cc2ccccc2)=NC1=O.
What is the InChIKey of 6-benzyl-3-tert-butyl-3H-pyridin-2-one?
The InChIKey is OLSJPRVPTSOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)14-10-9-13(17-15(14)18)11-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3.
What are the key properties of 6-benzyl-3-tert-butyl-3H-pyridin-2-one?
6-benzyl-3-tert-butyl-3H-pyridin-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-tert-butyl-3H-pyridin-2-one is sourced from PubChem (CID 58949526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).