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Chemical Molecules
Molecule Details
| Molecule ID | MOL85 | ||
| Compound Name | Cyclopropanecarboxamide | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | Cyclopropanecarboxamide |
| Synonym Name | Cyclopropanecarboxamide, 6228-73-5, Cyclopropylcarboxamide, Carbamoylcyclopropane, Cyclopropyl carboxamide |
| CAS ID | 6228-73-5 |
| IUPAC Name | cyclopropanecarboxamide |
| Molecular Formula | C4H7NO |
| Chemical Safety | Irritant |
| External Database ID |
80376 |
| Inchi | InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6) |
| INCHI Key | AIMMVWOEOZMVMS-UHFFFAOYSA-N |
| Canonical SMILES | C1CC1C(=O)N |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
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Chemical & Physical Properties
| Molecular Weight | 85.10Â g/mol |
| LogP (Octanol-Water) | -0.4 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 1 |
| Topological Surface Area | 43.1 Ų |
| Heavy Atom Count | 6 |
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Spectra Information
Biological Activities
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| References |
1. Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., ... & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research, 49(W1), W5-W14. 2. Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., ... & Bolton, E. E. (2019). PubChem 2019 update: improved access to chemical data. Nucleic acids research, 47(D1), D1102-D1109. |