Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C#N)c2ccccc12- InChIKey
JSDXJVHOJPFALN-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
Names & identifiers
- Preferred name
- (4-Cyano-naphthalen-1-yl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(4-cyanonaphthalen-1-yl)carbamate
Names & synonyms
SCHEMBL3181322JSDXJVHOJPFALN-UHFFFAOYSA-N(4-Cyano-naphthalen-1-yl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58745930
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
5 records
Compound notes
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