pyrrolo[2,3-i][1,2]benzodiazepine

C11H7N3 — CID 87072684

IUPACpyrrolo[2,3-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1nccc12
InChIInChI=1S/C11H7N3/c1-2-8-3-4-10-9(5-7-12-10)11(8)14-13-6-1/h1-7H
InChIKeyYUOCYTRGANSSRY-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About pyrrolo[2,3-i][1,2]benzodiazepine

pyrrolo[2,3-i][1,2]benzodiazepine (PubChem CID 87072684) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is pyrrolo[2,3-i][1,2]benzodiazepine.

Molecular Properties

Compound Namepyrrolo[2,3-i][1,2]benzodiazepine
PubChem CID87072684
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Namepyrrolo[2,3-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1nccc12
InChIInChI=1S/C11H7N3/c1-2-8-3-4-10-9(5-7-12-10)11(8)14-13-6-1/h1-7H
InChIKeyYUOCYTRGANSSRY-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrrolo[2,3-i][1,2]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-i][1,2]benzodiazepine?
The IUPAC name of pyrrolo[2,3-i][1,2]benzodiazepine (CID 87072684) is pyrrolo[2,3-i][1,2]benzodiazepine.
What is the SMILES notation for pyrrolo[2,3-i][1,2]benzodiazepine?
The canonical SMILES for pyrrolo[2,3-i][1,2]benzodiazepine is c1cnnc2c(c1)ccc1nccc12.
What is the InChIKey of pyrrolo[2,3-i][1,2]benzodiazepine?
The InChIKey is YUOCYTRGANSSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-8-3-4-10-9(5-7-12-10)11(8)14-13-6-1/h1-7H.
What are the key properties of pyrrolo[2,3-i][1,2]benzodiazepine?
pyrrolo[2,3-i][1,2]benzodiazepine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-i][1,2]benzodiazepine is sourced from PubChem (CID 87072684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).