Basic information
- Standard SMILES
O=C1Nc2ccccc2C12CCCC2B(O)O- InChIKey
QJCAHDJXZHTKKP-UHFFFAOYSA-N- Molecular formula
- C12H14BNO3
- Average molar mass
- 231.06 g/mol
- Monoisotopic mass
- 231.1066735
Names & identifiers
- Preferred name
- (spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one-5-yl)boronic acid
- IUPAC
- (2-oxospiro[1H-indole-3,2'-cyclopentane]-1'-yl)boronic acid
Names & synonyms
SCHEMBL3523663QJCAHDJXZHTKKP-UHFFFAOYSA-N(spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one -5-yl) boronic acid(spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one -5-yl)boronic acid(spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one-5-yl) boronic acid(spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one-5-yl)boronic acid
Database identifiers
- PubChem CID
- 21986244
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Related reactions
51 records
Compound notes
Loading…