1,2,3,6-tetrahydropyrrolo[3,2-c]azepine

C8H10N2 — CID 146247764

IUPAC1,2,3,6-tetrahydropyrrolo[3,2-c]azepine
SMILESC1=CC2=C(C=NC1)CCN2
InChIInChI=1S/C8H10N2/c1-2-8-7(3-5-10-8)6-9-4-1/h1-2,6,10H,3-5H2
InChIKeyPDADLJZCBGYUMT-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine

1,2,3,6-tetrahydropyrrolo[3,2-c]azepine (PubChem CID 146247764) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyrrolo[3,2-c]azepine
PubChem CID146247764
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,2,3,6-tetrahydropyrrolo[3,2-c]azepine
SMILESC1=CC2=C(C=NC1)CCN2
InChIInChI=1S/C8H10N2/c1-2-8-7(3-5-10-8)6-9-4-1/h1-2,6,10H,3-5H2
InChIKeyPDADLJZCBGYUMT-UHFFFAOYSA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine?
The IUPAC name of 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine (CID 146247764) is 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine.
What is the SMILES notation for 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine?
The canonical SMILES for 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine is C1=CC2=C(C=NC1)CCN2.
What is the InChIKey of 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine?
The InChIKey is PDADLJZCBGYUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-8-7(3-5-10-8)6-9-4-1/h1-2,6,10H,3-5H2.
What are the key properties of 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine?
1,2,3,6-tetrahydropyrrolo[3,2-c]azepine has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyrrolo[3,2-c]azepine is sourced from PubChem (CID 146247764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).