(3S,8aR,10S)-3-[(E)-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)methyl]tetrahydro-10-(1-methylethyl)-6H-3,8a-ethanopyrrolo[1,2-a]pyrazine-1,4-dione
[CAS# 38136-69-5]

Identification

• Name: (3S,8aR,10S)-3-[(E)-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)methyl]tetrahydro-10-(1-methylethyl)-6H-3,8a-ethanopyrrolo[1,2-a]pyrazine-1,4-dione
• Molecular Formula: C₂₁H₂₃N₃O₃
• Molecular Weight: 365.43
• CAS Registry Number: 38136-69-5
• SMILES: [C@@]13(NC(C2(N(C1=O)CCC2)[C@@H](C3)C(C)C)=O)\C=C/4NC5=C(C4=O)C=CC=C5
• InChI: 1S/C21H23N3O3/c1-12(2)14-10-20(11-16-17(25)13-6-3-4-7-15(13)22-16)19(27)24-9-5-8-21(14,24)18(26)23-20/h3-4,6-7,11-12,14,22H,5,8-10H2,1-2H3,(H,23,26)/b16-11+/t14-,20-,21?/m0/s1
• InChIKey: VUYPQWOUMOQTJW-ZOQASZOZSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 647.1°C at 760 mmHg (Cal.)
• Flash point: 345.154°C (Cal.)