Molecule ID: 259587

IUPAC Name: 1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid

Description: The molecule is a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a C-nitro compound, a member of pyrrolidines and a proline derivative.

SMILES: O=C(O)C1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C11H11N3O6/c15-11(16)9-2-1-5-12(9)8-4-3-7(13(17)18)6-10(8)14(19)20/h3-4,6,9H,1-2,5H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 1.8