Rac-methyl (1R,2R,4R)-2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate
Structure Info
- Chemspace ID
- CSSB02518660136 (In-Stock Building Blocks)
- CAS
- 84959-05-7
- MFCD
- MFCD33020471
- IUPAC Name
- rac-methyl (1R,2R,4R)-2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate
- Mol formula
- C11H13NO3
- Mol weight
- 207 Da
- Catalog Number(s)
- BBV-339845579, EN300-27719350
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.03
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.727
- Polar surface area (Å)
- 67
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of Rac-methyl (1R,2R,4R)-2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate (C11H13NO3) - CSSB02518660136](/st/structure/200/f12067915a8f9f666186b7461799ab3c/COC%2528%253DO%2529%255BC%2540%2540%255D1%2528C%255BC%2540H%255D2CC%255BC%2540%2540H%255D1CC2%253DO%2529C%2523N%2B%257C%25261%253A4%252C6%252C9%252Cr%257C.png "C11H13NO3")
- Zoom the structure
- CSSB02518660136
Items Overall 14 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 249.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 372.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 530.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 835.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,070.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 2,100.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 3,105.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 4,606.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 249.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 372.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 530.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 835.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 1,070.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 2,100.00 |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of methyl (1R,2R,4R)-2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB03436538792](/st/structure/200/512666c301e5a8c1e10bdceee9ff6a18/COC%2528%253DO%2529%255BC%2540%2540%255D1%2528C%255BC%2540H%255D2CC%255BC%2540%2540H%255D1CC2%253DO%2529C%2523N.png)
Similarity Analogs
![Chemical structure of methyl 2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB02515434077](/st/structure/200/db939bb82e9dac047e462a62ebc0be1f/COC%2528%253DO%2529C1%2528CC2CCC1CC2%253DO%2529C%2523N.png)
![Chemical structure of ethyl 2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB06655325717](/st/structure/200/73810a7ad287cc3721412e99ab37cb58/CCOC%2528%253DO%2529C1%2528CC2CCC1CC2%253DO%2529C%2523N.png)
![Chemical structure of 2,5-dioxopyrrolidin-1-yl 2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB20269493506](/st/structure/200/b10e5cd24677ea053fb3e2ebcad4b835/O%253DC%2528ON1C%2528%253DO%2529CCC1%253DO%2529C1%2528CC2CCC1CC2%253DO%2529C%2523N.png)
![Chemical structure of methyl 2-cyanobicyclo[2.2.2]octane-2-carboxylate - CSSB01991112374](/st/structure/200/4d532fdd8b7fe0d84e167147f81cf217/COC%2528%253DO%2529C1%2528C%2523N%2529CC2CCC1CC2.png)
![Chemical structure of 2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxamide - CSSB07108959046](/st/structure/200/2dd1e2566154a247fb3e04b0ab4b59d0/N%2523CC1%2528C%2528N%2529%253DO%2529CC2CCC1CC2%253DO.png)
![Chemical structure of methyl 2-cyanobicyclo[2.2.1]heptane-2-carboxylate - CSSB00112489827](/st/structure/200/6228a89e792744cae030fa5ce4bd59c6/COC%2528%253DO%2529C1%2528CC2CCC1C2%2529C%2523N.png)
