HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86636940Generated: October 31, 2026
1,1-dimethylethyl [(3S)-1-methyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl]carbamate
https://huagongshe.com/en/chemical/86636940
Identifiers & Physical Properties
| Molecular formula | C12H20N2O3 |
|---|
| Average molar mass | 240.3 g/mol |
|---|
| SMILES | CN1CC=CC[C@H](NC(=O)OC(C)(C)C)C1=O |
|---|
| InChIKey | KEHPXINXZODNRV-VIFPVBQESA-N |
|---|
| PubChem CID | 86636940 |
|---|
Chemical & Physical Properties
| XLogP | 1.2 |
|---|
| Topological polar surface area | 58.6 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 17 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 331 |
|---|
![1,1-dimethylethyl [(3S)-1-methyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl]carbamate molecular structure](/img/chemical/86636940.png)