Molecule ID: 56927926

IUPAC Name: 5-(cyclopenta-1,3-dien-1-ylamino)-5-oxopentanoic acid;N,N-dimethylcyclopentanecarboxamide;iron

Description: The molecule is a ferrocene complex in which one of the cyclopentadienyl rings is substituted with a dimethylcarbamoyl group while the other carries a 4-carboxybutanamido group.

SMILES: CN(C)C(=O)[c-]1[cH-][cH-][cH-][cH-]1.O=C(O)CCCC(O)=Nc1ccc[cH-]1.[Fe]

SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C-1][CH1-1][CH1-1][CH1-1][CH1-1][Ring1][Branch1].[O][=C][Branch1][C][O][C][C][C][C][Branch1][C][O][=N][C][=C][C][=C][CH1-1][Ring1][Branch1].[Fe]

InChI: InChI=1S/C10H12NO3.C8H10NO.Fe/c12-9(6-3-7-10(13)14)11-8-4-1-2-5-8;1-9(2)8(10)7-5-3-4-6-7;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14);3-6H,1-2H3;/q-1;-5;

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: nan