pyrrolo[3,2-b]azepine

C8H6N2 — CID 66934182

IUPACpyrrolo[3,2-b]azepine
SMILESc1ccc2nccc-2nc1
InChIInChI=1S/C8H6N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-6H
InChIKeyCTVOZUFKICZROL-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.58
Rot. Bonds

About pyrrolo[3,2-b]azepine

pyrrolo[3,2-b]azepine (PubChem CID 66934182) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is pyrrolo[3,2-b]azepine.

Molecular Properties

Compound Namepyrrolo[3,2-b]azepine
PubChem CID66934182
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namepyrrolo[3,2-b]azepine
SMILESc1ccc2nccc-2nc1
InChIInChI=1S/C8H6N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-6H
InChIKeyCTVOZUFKICZROL-UHFFFAOYSA-N
XLogP1.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
carbon monoxide;2-pyridin-2-ylpyridine;rhenium
CID 139182627

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-b]azepine?
The IUPAC name of pyrrolo[3,2-b]azepine (CID 66934182) is pyrrolo[3,2-b]azepine.
What is the SMILES notation for pyrrolo[3,2-b]azepine?
The canonical SMILES for pyrrolo[3,2-b]azepine is c1ccc2nccc-2nc1.
What is the InChIKey of pyrrolo[3,2-b]azepine?
The InChIKey is CTVOZUFKICZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-6H.
What are the key properties of pyrrolo[3,2-b]azepine?
pyrrolo[3,2-b]azepine has a molecular weight of 130.15 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-b]azepine is sourced from PubChem (CID 66934182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).