Basic information
- CAS
802258-88-4- Standard SMILES
O=C(O)C1CCC(c2ccccc2)=N1- InChIKey
BNIFQPHOXAQFQH-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
- IUPAC
- 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Names & synonyms
5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid802258-88-4SCHEMBL14328250DTXSID20328314DB-1510763,4-Dihydro-5-phenyl-2H-pyrrole-2-carboxylic acid
Database identifiers
- CAS
802258-88-4- PubChem CID
- 409207
- DTXSID
DTXSID20328314
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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