pyrrolo[3,4-e]indole

C10H6N2 — CID 67260480

IUPACpyrrolo[3,4-e]indole
SMILESC1=NC=c2c1ccc1c2=CC=N1
InChIInChI=1S/C10H6N2/c1-2-10-8(3-4-12-10)9-6-11-5-7(1)9/h1-6H
InChIKeyGBHGJTHMSOGOAK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.35
Rot. Bonds

About pyrrolo[3,4-e]indole

pyrrolo[3,4-e]indole (PubChem CID 67260480) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is pyrrolo[3,4-e]indole.

Molecular Properties

Compound Namepyrrolo[3,4-e]indole
PubChem CID67260480
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Namepyrrolo[3,4-e]indole
SMILESC1=NC=c2c1ccc1c2=CC=N1
InChIInChI=1S/C10H6N2/c1-2-10-8(3-4-12-10)9-6-11-5-7(1)9/h1-6H
InChIKeyGBHGJTHMSOGOAK-UHFFFAOYSA-N
XLogP0.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-e]indole?
The IUPAC name of pyrrolo[3,4-e]indole (CID 67260480) is pyrrolo[3,4-e]indole.
What is the SMILES notation for pyrrolo[3,4-e]indole?
The canonical SMILES for pyrrolo[3,4-e]indole is C1=NC=c2c1ccc1c2=CC=N1.
What is the InChIKey of pyrrolo[3,4-e]indole?
The InChIKey is GBHGJTHMSOGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2/c1-2-10-8(3-4-12-10)9-6-11-5-7(1)9/h1-6H.
What are the key properties of pyrrolo[3,4-e]indole?
pyrrolo[3,4-e]indole has a molecular weight of 154.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-e]indole is sourced from PubChem (CID 67260480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).