Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CN(Cc2ccc(C#N)cc2)C1- InChIKey
ZLGJRPZLBZZQNA-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 1-(4-cyanobenzyl)azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-[(4-cyanophenyl)methyl]azetidine-3-carboxylate
Names & synonyms
tert-Butyl 1-(4-cyanobenzyl)azetidine-3-carboxylate1236144-53-8tert-butyl 1-[(4-cyanophenyl)methyl]azetidine-3-carboxylateSCHEMBL407731ZLGJRPZLBZZQNA-UHFFFAOYSA-NSB51537tert-Butyl1-(4-cyanobenzyl)azetidine-3-carboxylatetert-Butyl 1-(4-cyanobenzyl)azetidine-3-carboxylate, 97%
Database identifiers
- PubChem CID
- 58504367
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
12 records
Compound notes
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