19943-29-4
Product Name:
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3S,8aR)- (9CI)
Formula:
C8H12N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 168.19 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.089877630 g/mol |
| Monoisotopic Mass | 168.089877630 g/mol |
| Topological Polar Surface Area | 49.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 239 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is a natural product found in Aspergillus fumigatus with data available.