3-Benzyl-1,4-diaza-2,5-dioxobicyclo[4.3.0]nonane
AlkaPlorer ID: AK054511
Synonym: None
IUPAC Name: (3S,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: O=C1[C@H](C2=CC=CC=C2)N=C(O)[C@@H]2CCCN12
InChI: InChI=1S/C13H14N2O2/c16-12-10-7-4-8-15(10)13(17)11(14-12)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKey: KHLPKFYOHNHMPR-QWRGUYRKSA-N
Source
Properties Information
Molecule Weight: 230.267
TPSA？: 52.9
MolLogP？: 1.6888
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
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