Molecule ID: 91665

IUPAC Name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

Description: The molecule is a pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a pyrroloquinoline and a delta-lactam.

SMILES: O=C1CCc2cccc3c2N1CC3

SELFIES: [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][Ring1][Branch1]

InChI: InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2

Molecular Properties:
- Polar Surface Area: 20.3 Ų
- LogP: 1.6