1,2-dihydropyrrolo[3,2-b]azepine

C8H8N2 — CID 67726404

IUPAC1,2-dihydropyrrolo[3,2-b]azepine
SMILESC1=CC=C2NCC=C2N=C1
InChIInChI=1S/C8H8N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-5,10H,6H2
InChIKeyMGPGQJDSWXSIQQ-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.00
Rot. Bonds

About 1,2-dihydropyrrolo[3,2-b]azepine

1,2-dihydropyrrolo[3,2-b]azepine (PubChem CID 67726404) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,2-dihydropyrrolo[3,2-b]azepine.

Molecular Properties

Compound Name1,2-dihydropyrrolo[3,2-b]azepine
PubChem CID67726404
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,2-dihydropyrrolo[3,2-b]azepine
SMILESC1=CC=C2NCC=C2N=C1
InChIInChI=1S/C8H8N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-5,10H,6H2
InChIKeyMGPGQJDSWXSIQQ-UHFFFAOYSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrrolo[3,2-b]azepine?
The IUPAC name of 1,2-dihydropyrrolo[3,2-b]azepine (CID 67726404) is 1,2-dihydropyrrolo[3,2-b]azepine.
What is the SMILES notation for 1,2-dihydropyrrolo[3,2-b]azepine?
The canonical SMILES for 1,2-dihydropyrrolo[3,2-b]azepine is C1=CC=C2NCC=C2N=C1.
What is the InChIKey of 1,2-dihydropyrrolo[3,2-b]azepine?
The InChIKey is MGPGQJDSWXSIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-5,10H,6H2.
What are the key properties of 1,2-dihydropyrrolo[3,2-b]azepine?
1,2-dihydropyrrolo[3,2-b]azepine has a molecular weight of 132.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrrolo[3,2-b]azepine is sourced from PubChem (CID 67726404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).