pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride

C13H9ClN2O2 — CID 144545399

IUPACpyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2cc3nccccc3cc12
InChIInChI=1S/C13H8N2O2.ClH/c16-13(17)10-7-15-12-6-11-8(5-9(10)12)3-1-2-4-14-11;/h1-7H,(H,16,17);1H
InChIKeyBUFWCGQPVBKVKG-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.90
Rot. Bonds1

About pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride

pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride (PubChem CID 144545399) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namepyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride
PubChem CID144545399
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Namepyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2cc3nccccc3cc12
InChIInChI=1S/C13H8N2O2.ClH/c16-13(17)10-7-15-12-6-11-8(5-9(10)12)3-1-2-4-14-11;/h1-7H,(H,16,17);1H
InChIKeyBUFWCGQPVBKVKG-UHFFFAOYSA-N
XLogP2.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride 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[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride?
The IUPAC name of pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride (CID 144545399) is pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride?
The canonical SMILES for pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2cc3nccccc3cc12.
What is the InChIKey of pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride?
The InChIKey is BUFWCGQPVBKVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2.ClH/c16-13(17)10-7-15-12-6-11-8(5-9(10)12)3-1-2-4-14-11;/h1-7H,(H,16,17);1H.
What are the key properties of pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride?
pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride has a molecular weight of 260.68 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 144545399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).