Basic information
- Standard SMILES
C=CCOC(=O)c1cccn1NCc1ccc(F)cc1- InChIKey
VMXYJWLSEKBZAN-UHFFFAOYSA-N- Molecular formula
- C15H15FN2O2
- Average molar mass
- 274.29 g/mol
- Monoisotopic mass
- 274.11175589
Names & identifiers
- Preferred name
- 1-(4-fluoro-benzylamino)-1H-pyrrole-2-carboxylic acid allyl ester
- IUPAC
- prop-2-enyl 1-[(4-fluorophenyl)methylamino]pyrrole-2-carboxylate
Names & synonyms
SCHEMBL3764490VMXYJWLSEKBZAN-UHFFFAOYSA-N1-(4-fluoro-benzylamino)-1H-pyrrole-2-carboxylic acid allyl ester
Database identifiers
- PubChem CID
- 59853576
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
7 records
Compound notes
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