Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(C#N)ccc1B(O)O- InChIKey
NFFKGGYRJAMHBO-UHFFFAOYSA-N- Molecular formula
- C10H13BN2O4
- Average molar mass
- 236.03 g/mol
- Monoisotopic mass
- 236.0968371
Names & identifiers
- Preferred name
- (1-(tert-butoxycarbonyl)-5-cyano-1H-pyrrol-2-yl)boronic acid
- IUPAC
- [5-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid
Names & synonyms
SCHEMBL15392969NFFKGGYRJAMHBO-UHFFFAOYSA-N(1-(tert-butoxycarbonyl)-5-cyano-1H-pyrrol-2-yl)boronic acid
Database identifiers
- PubChem CID
- 89907888
Properties
Computed structural properties
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Related reactions
6 records
Compound notes
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