S1V
1-ethanoylpiperidine-4-carbonitrile
Created: | 2020-03-03 |
Last modified: | 2020-07-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-ethanoylpiperidine-4-carbonitrile |
Systematic Name (OpenEye OEToolkits) | 1-ethanoylpiperidine-4-carbonitrile |
Formula | C8 H12 N2 O |
Molecular Weight | 152.194 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C#N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCC(CC1)C#N |
Canonical SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C#N |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCC(CC1)C#N |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 2756286 |