6-bromo-1,5-dihydropyrrolo[2,3-b]azepine

C8H7BrN2 — CID 143020055

IUPAC6-bromo-1,5-dihydropyrrolo[2,3-b]azepine
SMILESBrC1=CN=c2[nH]ccc2=CC1
InChIInChI=1S/C8H7BrN2/c9-7-2-1-6-3-4-10-8(6)11-5-7/h1,3-5H,2H2,(H,10,11)
InChIKeyITJBOWGETANEFL-UHFFFAOYSA-N
MW211.06 g/mol
LogP1.05
Rot. Bonds

About 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine

6-bromo-1,5-dihydropyrrolo[2,3-b]azepine (PubChem CID 143020055) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine.

Molecular Properties

Compound Name6-bromo-1,5-dihydropyrrolo[2,3-b]azepine
PubChem CID143020055
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name6-bromo-1,5-dihydropyrrolo[2,3-b]azepine
SMILESBrC1=CN=c2[nH]ccc2=CC1
InChIInChI=1S/C8H7BrN2/c9-7-2-1-6-3-4-10-8(6)11-5-7/h1,3-5H,2H2,(H,10,11)
InChIKeyITJBOWGETANEFL-UHFFFAOYSA-N
XLogP1.05
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70328713
(3E)-N-[(E)-2-bromoprop-1-enyl]-3-butan-2-ylidene-1H-pyrrol-2-imine
CID 136981562
(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
CID 142308881
5,5-dimethyl-1H-pyrrolo[2,3-b]azepine
CID 143500219
6-Chloro-1,5-dihydropyrrolo[2,3-b]azepine
CID 143712823
1,5-Dihydropyrrolo[2,3-b]azepine;ethane
CID 143713059
1,5-Dihydropyrrolo[2,3-b]azepine;ethane;molecular hydrogen
CID 144801060
Ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 144945316
4,5-Dimethyl-1,7-dihydropyrrolo[2,3-b]azepine;molecular hydrogen
CID 153634003
(2E,4E)-4-bromo-N-ethenyl-N'-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 155364844
(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine
CID 155689301
3-Bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
CID 158327317

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine?
The IUPAC name of 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine (CID 143020055) is 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine.
What is the SMILES notation for 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine?
The canonical SMILES for 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine is BrC1=CN=c2[nH]ccc2=CC1.
What is the InChIKey of 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine?
The InChIKey is ITJBOWGETANEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c9-7-2-1-6-3-4-10-8(6)11-5-7/h1,3-5H,2H2,(H,10,11).
What are the key properties of 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine?
6-bromo-1,5-dihydropyrrolo[2,3-b]azepine has a molecular weight of 211.06 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,5-dihydropyrrolo[2,3-b]azepine is sourced from PubChem (CID 143020055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).