Home Nitriles 2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-4'-carbonitrile hydrochloride

2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-4'-carbonitrile hydrochloride

CAS No.:
1423027-48-8
Catalog Number:
AG01A2FB
Molecular Formula:
C12H12ClN3O
Molecular Weight:
249.6962
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Product Description
Catalog Number:
AG01A2FB
Chemical Name:
2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-4'-carbonitrile hydrochloride
CAS Number:
1423027-48-8
Molecular Formula:
C12H12ClN3O
Molecular Weight:
249.6962
MDL Number:
MFCD22578557
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
SMILES:
N#CC1CNCC21C(=O)Nc1c2cccc1.Cl
Properties
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
Properties