Basic information
- Standard SMILES
CN1CC=CC[C@H](NC(=O)OC(C)(C)C)C1=O- InChIKey
KEHPXINXZODNRV-VIFPVBQESA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl [(3S)-1-methyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl]carbamate
- IUPAC
- tert-butyl N-[(6S)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate
Names & synonyms
KEHPXINXZODNRV-VIFPVBQESA-N1,1-dimethylethyl [(3S)-1-methyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl]carbamate
Database identifiers
- PubChem CID
- 86636940
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Related reactions
3 records
Compound notes
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