4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one

C17H19NO — CID 82063327

IUPAC4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(/C=C/c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C17H19NO/c1-17(2,3)15-8-6-13(7-9-15)4-5-14-10-11-18-16(19)12-14/h4-12H,1-3H3,(H,18,19)/b5-4+
InChIKeyUWQVXUFJGDJZKJ-SNAWJCMRSA-N
MW253.34 g/mol
LogP3.84
Rot. Bonds2

About 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one

4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one (PubChem CID 82063327) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one
PubChem CID82063327
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(/C=C/c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C17H19NO/c1-17(2,3)15-8-6-13(7-9-15)4-5-14-10-11-18-16(19)12-14/h4-12H,1-3H3,(H,18,19)/b5-4+
InChIKeyUWQVXUFJGDJZKJ-SNAWJCMRSA-N
XLogP3.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
3-(2-oxo-1H-pyridin-4-yl)prop-2-enal
CID 169458694
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
3-(2-oxo-1H-pyridin-4-yl)prop-2-enenitrile
CID 70089991
4-(3-bromoprop-1-enyl)-1H-pyridin-2-one
CID 169475021
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 10381897
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
2-[2-(4-tert-butylphenyl)ethenyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 175490085

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one (CID 82063327) is 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one is CC(C)(C)c1ccc(/C=C/c2cc[nH]c(=O)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one?
The InChIKey is UWQVXUFJGDJZKJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)15-8-6-13(7-9-15)4-5-14-10-11-18-16(19)12-14/h4-12H,1-3H3,(H,18,19)/b5-4+.
What are the key properties of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one?
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 82063327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).