71018-04-7
Product Name:
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(hydroxymethyl)-, (3S,8aS)-
Formula:
C8H12N2O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 184.19 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 184.08479225 g/mol |
| Monoisotopic Mass | 184.08479225 g/mol |
| Topological Polar Surface Area | 69.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 254 |
| 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,8aS)-3-(hydroxymethyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione is a natural product found in Streptomyces nigra and Aspergillus fumigatus with data available.