Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1cccc1C#N- InChIKey
GDHNTBXGTBFNIC-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate
- IUPAC
- tert-butyl 2-cyanopyrrole-1-carboxylate
Names & synonyms
1380500-94-6tert-Butyl 2-cyano-1H-pyrrole-1-carboxylate1-N-Boc-2-cyanopyrroletert-butyl 2-cyanopyrrole-1-carboxylatetert-Butyl2-cyano-1H-pyrrole-1-carboxylate1-Boc-pyrrole-2-carbonitrileSCHEMBL16678680GDHNTBXGTBFNIC-UHFFFAOYSA-NSB62724DB-120071F098055
Database identifiers
- PubChem CID
- 86277481
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
1 records
Compound notes
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