| CAS Number | 1423027-48-8 |
| Catalog Number | AG01A2FB |
| Chemical Name | 2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-4'-carbonitrile hydrochloride |
| IUPAC Name | 2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile;hydrochloride |
| InChI | InChI=1S/C12H11N3O.ClH/c13-5-8-6-14-7-12(8)9-3-1-2-4-10(9)15-11(12)16;/h1-4,8,14H,6-7H2,(H,15,16);1H |
| InChI Key | GUXNTNBUOQJOKA-UHFFFAOYSA-N |
| MDL Number | MFCD22578557 |
| Molecular Formula | C12H12ClN3O |
| Molecular Weight | 249.6962 |
| SMILES | Cl.O=C1C2(C(C#N)CNC2)C2=C(C=CC=C2)N1 |
| Synonyms | 2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-4'-carbonitrile hydrochloride,
1423027-48-8,
AKOS033386965,
MCULE-3047088203,
NE41849,
EN300-117060,
Z1511513799,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.698g/mol |
| Monoisotopic Mass | 249.067g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number