Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C2Cc3ccccc3C21- InChIKey
BRKUDJZZOLFPEL-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
Names & identifiers
- Preferred name
- (+/-)N-tert-butoxycarbonyl-1,2-iminoindane
- IUPAC
- tert-butyl 6,6a-dihydro-1aH-indeno[1,2-b]azirine-1-carboxylate
Names & synonyms
SCHEMBL7337760BRKUDJZZOLFPEL-UHFFFAOYSA-N(+/-)N-tert-butoxycarbonyl-1,2-iminoindane(+/-) N-tert-butoxycarbonyl-1,2-iminoindane
Database identifiers
- PubChem CID
- 53697243
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
9 records
Compound notes
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