FP6
pyrrolidine-1-carbaldehyde
Created: | 2011-03-22 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 0 |
Bond Count | 16 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | pyrrolidine-1-carbaldehyde |
Systematic Name (OpenEye OEToolkits) | pyrrolidine-1-carbaldehyde |
Formula | C5 H9 N O |
Molecular Weight | 99.131 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CN1CCCC1 |
SMILES | CACTVS | 3.370 | O=CN1CCCC1 |
SMILES | OpenEye OEToolkits | 1.7.0 | C1CCN(C1)C=O |
Canonical SMILES | CACTVS | 3.370 | O=CN1CCCC1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C1CCN(C1)C=O |
InChI | InChI | 1.03 | InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2 |
InChIKey | InChI | 1.03 | AGRIQBHIKABLPJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 77372 |