pyrrolo[2,3-g][1]benzazepin-10-amine

C12H9N3 — CID 87998284

IUPACpyrrolo[2,3-g][1]benzazepin-10-amine
SMILESNc1cccnc2ccc3ccnc3c12
InChIInChI=1S/C12H9N3/c13-9-2-1-6-14-10-4-3-8-5-7-15-12(8)11(9)10/h1-7H,13H2
InChIKeyGEEUMMFHMYYFGL-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.37
Rot. Bonds

About pyrrolo[2,3-g][1]benzazepin-10-amine

pyrrolo[2,3-g][1]benzazepin-10-amine (PubChem CID 87998284) has the molecular formula C12H9N3 and a molecular weight of 195.23 g/mol. Its IUPAC name is pyrrolo[2,3-g][1]benzazepin-10-amine.

Molecular Properties

Compound Namepyrrolo[2,3-g][1]benzazepin-10-amine
PubChem CID87998284
Molecular FormulaC12H9N3
Molecular Weight195.23 g/mol
Exact Mass195.08
IUPAC Namepyrrolo[2,3-g][1]benzazepin-10-amine
SMILESNc1cccnc2ccc3ccnc3c12
InChIInChI=1S/C12H9N3/c13-9-2-1-6-14-10-4-3-8-5-7-15-12(8)11(9)10/h1-7H,13H2
InChIKeyGEEUMMFHMYYFGL-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-g][1]benzazepin-10-amine?
The IUPAC name of pyrrolo[2,3-g][1]benzazepin-10-amine (CID 87998284) is pyrrolo[2,3-g][1]benzazepin-10-amine.
What is the SMILES notation for pyrrolo[2,3-g][1]benzazepin-10-amine?
The canonical SMILES for pyrrolo[2,3-g][1]benzazepin-10-amine is Nc1cccnc2ccc3ccnc3c12.
What is the InChIKey of pyrrolo[2,3-g][1]benzazepin-10-amine?
The InChIKey is GEEUMMFHMYYFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-9-2-1-6-14-10-4-3-8-5-7-15-12(8)11(9)10/h1-7H,13H2.
What are the key properties of pyrrolo[2,3-g][1]benzazepin-10-amine?
pyrrolo[2,3-g][1]benzazepin-10-amine has a molecular weight of 195.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-g][1]benzazepin-10-amine is sourced from PubChem (CID 87998284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).