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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N3O
Molecular Weight 203.2404
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,8-DIMETHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-PYRROLO(1,2-A)(1,3)DIAZEPINE-9-CARBONITRILE

SMILES

CC1=C(C)C(C#N)=C2NC(=O)CCCN12

InChI

InChIKey=TVYJBOTZGYCPKO-UHFFFAOYSA-N
InChI=1S/C11H13N3O/c1-7-8(2)14-5-3-4-10(15)13-11(14)9(7)6-12/h3-5H2,1-2H3,(H,13,15)

HIDE SMILES / InChI

Molecular Formula C11H13N3O
Molecular Weight 203.2404
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 Sat Dec 16 12:57:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:50 GMT 2023
Record UNII
24XM7A68TD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,8-DIMETHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-PYRROLO(1,2-A)(1,3)DIAZEPINE-9-CARBONITRILE
Systematic Name English
2,3,4,5-TETRAHYDRO-7,8-DIMETHYL-2-OXO-1H-PYRROLO(1,2-A)(1,3)DIAZEPINE-9-CARBONITRILE
Systematic Name English
1H-PYRROLO(1,2-A)(1,3)DIAZEPINE-9-CARBONITRILE, 2,3,4,5-TETRAHYDRO-7,8-DIMETHYL-2-OXO-
Systematic Name English
NSC-164678
Code English
Code System Code Type Description
EPA CompTox
DTXSID10208878
Created by admin on Sat Dec 16 12:57:50 GMT 2023 , Edited by admin on Sat Dec 16 12:57:50 GMT 2023
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PUBCHEM
295498
Created by admin on Sat Dec 16 12:57:50 GMT 2023 , Edited by admin on Sat Dec 16 12:57:50 GMT 2023
PRIMARY
NSC
164678
Created by admin on Sat Dec 16 12:57:50 GMT 2023 , Edited by admin on Sat Dec 16 12:57:50 GMT 2023
PRIMARY
FDA UNII
24XM7A68TD
Created by admin on Sat Dec 16 12:57:50 GMT 2023 , Edited by admin on Sat Dec 16 12:57:50 GMT 2023
PRIMARY
CAS
60138-29-6
Created by admin on Sat Dec 16 12:57:50 GMT 2023 , Edited by admin on Sat Dec 16 12:57:50 GMT 2023
PRIMARY