1,5-dihydropyrrolo[2,3-c]azepine

C8H8N2 — CID 57325040

IUPAC1,5-dihydropyrrolo[2,3-c]azepine
SMILESC1=NC=c2[nH]ccc2=CC1
InChIInChI=1S/C8H8N2/c1-2-7-3-5-10-8(7)6-9-4-1/h2-6,10H,1H2
InChIKeyKMGOQNSNYBHUPF-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.01
Rot. Bonds

About 1,5-dihydropyrrolo[2,3-c]azepine

1,5-dihydropyrrolo[2,3-c]azepine (PubChem CID 57325040) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,5-dihydropyrrolo[2,3-c]azepine.

Molecular Properties

Compound Name1,5-dihydropyrrolo[2,3-c]azepine
PubChem CID57325040
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,5-dihydropyrrolo[2,3-c]azepine
SMILESC1=NC=c2[nH]ccc2=CC1
InChIInChI=1S/C8H8N2/c1-2-7-3-5-10-8(7)6-9-4-1/h2-6,10H,1H2
InChIKeyKMGOQNSNYBHUPF-UHFFFAOYSA-N
XLogP0.01
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrrolo[2,3-c]azepine?
The IUPAC name of 1,5-dihydropyrrolo[2,3-c]azepine (CID 57325040) is 1,5-dihydropyrrolo[2,3-c]azepine.
What is the SMILES notation for 1,5-dihydropyrrolo[2,3-c]azepine?
The canonical SMILES for 1,5-dihydropyrrolo[2,3-c]azepine is C1=NC=c2[nH]ccc2=CC1.
What is the InChIKey of 1,5-dihydropyrrolo[2,3-c]azepine?
The InChIKey is KMGOQNSNYBHUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-7-3-5-10-8(7)6-9-4-1/h2-6,10H,1H2.
What are the key properties of 1,5-dihydropyrrolo[2,3-c]azepine?
1,5-dihydropyrrolo[2,3-c]azepine has a molecular weight of 132.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrrolo[2,3-c]azepine is sourced from PubChem (CID 57325040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).