U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H11NO
Molecular Weight 137.179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methylenequinuclidin-3-one

SMILES

C=C1N2CCC(CC2)C1=O

InChI

InChIKey=NHPWIWAGVOXDPU-UHFFFAOYSA-N
InChI=1S/C8H11NO/c1-6-8(10)7-2-4-9(6)5-3-7/h7H,1-5H2

HIDE SMILES / InChI

Molecular Formula C8H11NO
Molecular Weight 137.179
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:04:37 GMT 2025
Edited
by admin
on Wed Apr 02 07:04:37 GMT 2025
Record UNII
YBL6TAE47S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methylenequinuclidin-3-one
Systematic Name English
2-Methylene-3-quinuclidone
Preferred Name English
2-Methylene-1-azabicyclo[2.2.2]octan-3-one
Systematic Name English
1-Azabicyclo[2.2.2]octan-3-one, 2-methylene-
Systematic Name English
Code System Code Type Description
CAS
5291-26-9
Created by admin on Wed Apr 02 07:04:38 GMT 2025 , Edited by admin on Wed Apr 02 07:04:38 GMT 2025
PRIMARY
FDA UNII
YBL6TAE47S
Created by admin on Wed Apr 02 07:04:38 GMT 2025 , Edited by admin on Wed Apr 02 07:04:38 GMT 2025
PRIMARY
PUBCHEM
322973
Created by admin on Wed Apr 02 07:04:38 GMT 2025 , Edited by admin on Wed Apr 02 07:04:38 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> ACTIVATOR
Methylene quinuclidinone (MQ) that binds covalently to cysteines in p53, leading to refolding and restoration of wild type p53 function
TARGET -> SUBSTRATE
TARGET -> ACTIVATOR
Methylene quinuclidinone (MQ) that binds covalently to cysteines in p53, leading to refolding and restoration of wild type p53 function
TARGET -> INHIBITOR