U4C
Summary
| Name: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
| Formula: | C12 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1Nc2ccccc2CC21CCCN2 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | ABOZUPQQWCLVDB-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2C[C@@]13CCCN3 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2C[C]13CCCN3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@@]3(CCCN3)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC3(CCCN3)C(=O)N2 |
