S1V
Summary
Name: | 1-ethanoylpiperidine-4-carbonitrile |
Formula: | C8 H12 N2 O |
Formal charge: | 0 |
Formula weight: | 152.194 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 1-ethanoylpiperidine-4-carbonitrile |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3 |
InChIKey | InChI | 1.03 | NFDGRMQIOHRQHF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C#N |
SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCC(CC1)C#N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCC(CC1)C#N |