Molecule ID: 10465793

IUPAC Name: N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]acetamide

Description: The molecule is a member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group. It has a role as a bacterial metabolite. It is an acetamide, an epoxide, a member of cyclohexenones, an enone, an oxabicycloalkane, a primary alcohol and a tertiary alcohol.

SMILES: CC(O)=NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O

SELFIES: [C][C][Branch1][C][O][=N][C][=C][C][=Branch1][C][=O][C@][Branch1][Ring1][C][O][O][C@@H1][Ring1][Branch1][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C9H11NO5/c1-4(12)10-5-2-6(13)9(3-11)8(15-9)7(5)14/h2,7-8,11,14H,3H2,1H3,(H,10,12)/t7-,8+,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 99.2 Ų
- LogP: -2.2