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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17NO
Molecular Weight 203.2802
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPHA-PYRROLIDINOPROPIOPHENONE, (S)-

SMILES

C[C@H](N1CCCC1)C(=O)C2=CC=CC=C2

InChI

InChIKey=KPUJAQRFIJAORQ-NSHDSACASA-N
InChI=1S/C13H17NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H17NO
Molecular Weight 203.2802
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
X8BU76V22M
Record Status Validated (UNII)
Record Version