2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione

PubChem CID: 11064594

Connections displayed (default: 10).

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Compound Synonyms	96562-96-8, 2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione, 2-BROMOALDISINE, 2-Bromoaldisin, 2-Bromo-6,7-dihydropyrrolo[2,3-c]azepine-4,8(1H,5H)-dione, CHEMBL440356, 2-bromo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepine-4,8-dione, 2-Bromo-6,7-dihydro-1H,5H-pyrrolo-[2,3-c]azepine-4,8-dione, 2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione, MFCD08166399, SCHEMBL7837428, DTXSID40453935, BDBM50108774, HY-W065835, PB34266, CS-0057689, B65273, SR-00000001857, SR-00000001857-1
Topological Polar Surface Area	62.0
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	13.0
Isotope Atom Count	0.0
Molecular Complexity	257.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q02750, P28482
Iupac Name	2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
Prediction Hob	1.0
Target Id	NPT491, NPT282
Xlogp	0.8
Molecular Formula	C8H7BrN2O2
Prediction Swissadme	0.0
Inchi Key	INYSELGLAAADNH-UHFFFAOYSA-N
Fcsp3	0.25
Logs	-3.182
Rotatable Bond Count	0.0
Logd	1.275
Compound Name	2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione
Prediction Hob Swissadme	0.0
Exact Mass	241.969
Formal Charge	0.0
Monoisotopic Mass	241.969
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	243.06
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-2.1544873846153845
Inchi	InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
Smiles	C1CNC(=O)C2=C(C1=O)C=C(N2)Br
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acalypha Australis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actiniopteris Australis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ajuga Australis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Baptisia Australis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Celtis Australis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Codonocarpus Australis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Coprosma Australis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cordyline Australis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Cuscuta Australis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Echinocystis Fabacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
11. Outgoing r'ship FOUND_IN to/from Echinocystis Lobata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Erica Australis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Flindersia Australis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Hoya Australis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Phragmites Australis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Raoulia Australis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Typha Australis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Utricularia Australis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Vernonia Anisochaetoides (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Vernonia Anthelmintica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Vernonia Arborea (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Vernonia Arctioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Vernonia Aurea (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Vernonia Brevifolia (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Vernonia Chloropappa (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Vernonia Cinerea (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Vernonia Cistifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Vernonia Colorata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Vernonia Condensata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Vernonia Echitifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Vernonia Esculenta (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Vernonia Fagifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Vernonia Flexuosa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Vernonia Guineensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Vernonia Lanuginosa (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Vernonia Leopoldi (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Vernonia Lilacina (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Vernonia Megapotamica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Vernonia Menthaefolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Vernonia Pachyclada (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Vernonia Profuga (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Vernonia Pyramidale (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Vernonia Scorpioides (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Vernonia Serratuloides (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Vernonia Steetziana (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Vernonia Tufnellae (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Vernonia Volkameriaefolia (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Vittadinia Australis (Plant) Rel Props:Reference:

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2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione

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Phytochemical Properties

Associated Connections 51

Plant Connections 51