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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11N
Molecular Weight 157.2117
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(P-TOLYL)CYCLOPROPANECARBONITRILE

SMILES

CC1=CC=C(C=C1)C2(CC2)C#N

InChI

InChIKey=NMDIWHQRZLXXNV-UHFFFAOYSA-N
InChI=1S/C11H11N/c1-9-2-4-10(5-3-9)11(8-12)6-7-11/h2-5H,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H11N
Molecular Weight 157.2117
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 Tue Apr 01 19:16:25 GMT 2025
Edited
by admin
on Tue Apr 01 19:16:25 GMT 2025
Record UNII
J2Y3R9QBH4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-155168
Preferred Name English
1-(P-TOLYL)CYCLOPROPANECARBONITRILE
Systematic Name English
1-(4-METHYLPHENYL)CYCLOPROPANECARBONITRILE
Systematic Name English
CYCLOPROPANECARBONITRILE, 1-(4-METHYLPHENYL)-
Systematic Name English
1-(4-METHYLPHENYL)CYCLOPROPANE-1-CARBONITRILE
Systematic Name English
1-(4-METHYLPHENYL)-1-CYCLOPROPANECARBONITRILE
Systematic Name English
Code System Code Type Description
NSC
155168
Created by admin on Tue Apr 01 19:16:25 GMT 2025 , Edited by admin on Tue Apr 01 19:16:25 GMT 2025
PRIMARY
CAS
71172-78-6
Created by admin on Tue Apr 01 19:16:25 GMT 2025 , Edited by admin on Tue Apr 01 19:16:25 GMT 2025
PRIMARY
PUBCHEM
98628
Created by admin on Tue Apr 01 19:16:25 GMT 2025 , Edited by admin on Tue Apr 01 19:16:25 GMT 2025
PRIMARY
FDA UNII
J2Y3R9QBH4
Created by admin on Tue Apr 01 19:16:25 GMT 2025 , Edited by admin on Tue Apr 01 19:16:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID50221369
Created by admin on Tue Apr 01 19:16:25 GMT 2025 , Edited by admin on Tue Apr 01 19:16:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
275-240-4
Created by admin on Tue Apr 01 19:16:25 GMT 2025 , Edited by admin on Tue Apr 01 19:16:25 GMT 2025
PRIMARY