Completing data — refresh the page later to see the latest
Basic information
- CAS
1259366-16-9- Standard SMILES
CC(C)(C)OC(=O)N1C(=O)C2(C)CC=CC1C2- InChIKey
DAKPUWVICJSVSX-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- Tert-butyl 1-methyl-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
- IUPAC
- tert-butyl 1-methyl-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
Names & synonyms
tert-butyl 1-methyl-7-oxo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylateSCHEMBL10008007DAKPUWVICJSVSX-UHFFFAOYSA-NDTXSID2011237966-Azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid, 1-methyl-7-oxo-, 1,1-dimethylethyl ester1259366-16-9
Database identifiers
- CAS
1259366-16-9- PubChem CID
- 68008024
- DTXSID
DTXSID201123796
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
Loading…