2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium

C8H10N2+2 — CID 58928041

IUPAC2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium
SMILESC1=CC(C2C=CC=[NH+]2)[NH+]=C1
InChIInChI=1S/C8H8N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-8H/p+2
InChIKeyKFSLHNQJNMMFOL-UHFFFAOYSA-P
MW134.18 g/mol
LogP-2.83
Rot. Bonds1

About 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium

2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium (PubChem CID 58928041) has the molecular formula C8H10N2+2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium.

Molecular Properties

Compound Name2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium
PubChem CID58928041
Molecular FormulaC8H10N2+2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium
SMILESC1=CC(C2C=CC=[NH+]2)[NH+]=C1
InChIInChI=1S/C8H8N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-8H/p+2
InChIKeyKFSLHNQJNMMFOL-UHFFFAOYSA-P
XLogP-2.83
TPSA27.94 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium 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 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium?
The IUPAC name of 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium (CID 58928041) is 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium.
What is the SMILES notation for 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium?
The canonical SMILES for 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium is C1=CC(C2C=CC=[NH+]2)[NH+]=C1.
What is the InChIKey of 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium?
The InChIKey is KFSLHNQJNMMFOL-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H8N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-8H/p+2.
What are the key properties of 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium?
2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium has a molecular weight of 134.18 g/mol, XLogP of -2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrrol-1-ium-2-yl)-2H-pyrrol-1-ium is sourced from PubChem (CID 58928041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).