Molecule ID: 52937073

IUPAC Name: 3,4-dipropyl-1,4-oxazepan-7-one

Description: The molecule is an oxazinane that is 1,4-oxazepane substituted by propyl groups at positions 3 and 4 and an oxo group at position 7. It is isolated from the endophytic fungus Microdiplodia species. It has a role as a metabolite.

SMILES: CCCC1COC(=O)CCN1CCC

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

InChI: InChI=1S/C11H21NO2/c1-3-5-10-9-14-11(13)6-8-12(10)7-4-2/h10H,3-9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 2.1