A1CUE
Summary
| Name: | 3-oxo-3-(piperidin-1-yl)propanenitrile |
| Formula: | C8 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 152.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-oxo-3-(piperidin-1-yl)propanenitrile |
| OpenEye OEToolkits | 3.1.0.0 | 3-oxidanylidene-3-piperidin-1-yl-propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CC#N)N1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2 |
| InChIKey | InChI | 1.06 | ANLQHFYDQPMDJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC#N)N1CCCCC1 |
| SMILES | CACTVS | 3.385 | O=C(CC#N)N1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CCN(CC1)C(=O)CC#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCN(CC1)C(=O)CC#N |
