pyrrolo[2,3-g][1]benzazepine

C12H8N2 — CID 88692169

IUPACpyrrolo[2,3-g][1]benzazepine
SMILESc1ccc2c(ccc3ccnc32)nc1
InChIInChI=1S/C12H8N2/c1-2-7-13-11-5-4-9-6-8-14-12(9)10(11)3-1/h1-8H
InChIKeyISZIQZCZKOFSBT-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.78
Rot. Bonds

About pyrrolo[2,3-g][1]benzazepine

pyrrolo[2,3-g][1]benzazepine (PubChem CID 88692169) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is pyrrolo[2,3-g][1]benzazepine.

Molecular Properties

Compound Namepyrrolo[2,3-g][1]benzazepine
PubChem CID88692169
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Namepyrrolo[2,3-g][1]benzazepine
SMILESc1ccc2c(ccc3ccnc32)nc1
InChIInChI=1S/C12H8N2/c1-2-7-13-11-5-4-9-6-8-14-12(9)10(11)3-1/h1-8H
InChIKeyISZIQZCZKOFSBT-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-g][1]benzazepine?
The IUPAC name of pyrrolo[2,3-g][1]benzazepine (CID 88692169) is pyrrolo[2,3-g][1]benzazepine.
What is the SMILES notation for pyrrolo[2,3-g][1]benzazepine?
The canonical SMILES for pyrrolo[2,3-g][1]benzazepine is c1ccc2c(ccc3ccnc32)nc1.
What is the InChIKey of pyrrolo[2,3-g][1]benzazepine?
The InChIKey is ISZIQZCZKOFSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-2-7-13-11-5-4-9-6-8-14-12(9)10(11)3-1/h1-8H.
What are the key properties of pyrrolo[2,3-g][1]benzazepine?
pyrrolo[2,3-g][1]benzazepine has a molecular weight of 180.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-g][1]benzazepine is sourced from PubChem (CID 88692169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).