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

Details

Stereochemistry RACEMIC
Molecular Formula C12H11NO
Molecular Weight 185.2218
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one

SMILES

O=C1CC(NCC#C)C2=CC=CC=C12

InChI

InChIKey=NMRXLQWLAGHNGU-UHFFFAOYSA-N
InChI=1S/C12H11NO/c1-2-7-13-11-8-12(14)10-6-4-3-5-9(10)11/h1,3-6,11,13H,7-8H2

HIDE SMILES / InChI

Molecular Formula C12H11NO
Molecular Weight 185.2218
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:33:17 GMT 2025
Edited
by admin
on Wed Apr 02 17:33:17 GMT 2025
Record UNII
JNG6K25FFD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Inden-1-one, 2,3-dihydro-3-(2-propyn-1-ylamino)-
Preferred Name English
2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one
Systematic Name English
3-[(Prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-1-one
Systematic Name English
Code System Code Type Description
CAS
1312077-03-4
Created by admin on Wed Apr 02 17:33:17 GMT 2025 , Edited by admin on Wed Apr 02 17:33:17 GMT 2025
PRIMARY
PUBCHEM
53251412
Created by admin on Wed Apr 02 17:33:17 GMT 2025 , Edited by admin on Wed Apr 02 17:33:17 GMT 2025
PRIMARY
FDA UNII
JNG6K25FFD
Created by admin on Wed Apr 02 17:33:17 GMT 2025 , Edited by admin on Wed Apr 02 17:33:17 GMT 2025
PRIMARY