091
Summary
| Name: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one |
| OpenEye OEToolkits | 1.7.2 | (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Nc1c(cccc1)C23CCNC3 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | FQSHLSLQUHZOMV-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1Nc2ccccc2[C@]13CCNC3 |
| SMILES | CACTVS | 3.370 | O=C1Nc2ccccc2[C]13CCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)C3(CCNC3)C(=O)N2 |
