2H-pyrrol-2-ylium

C4H4N+ — CID 20755689

IUPAC2H-pyrrol-2-ylium
SMILESC1=C[CH+]N=C1
InChIInChI=1S/C4H4N/c1-2-4-5-3-1/h1-4H/q+1
InChIKeyBBNPVRVOZRHZDQ-UHFFFAOYSA-N
MW66.08 g/mol
LogP0.79
Rot. Bonds

About 2H-pyrrol-2-ylium

2H-pyrrol-2-ylium (PubChem CID 20755689) has the molecular formula C4H4N+ and a molecular weight of 66.08 g/mol. Its IUPAC name is 2H-pyrrol-2-ylium.

Molecular Properties

Compound Name2H-pyrrol-2-ylium
PubChem CID20755689
Molecular FormulaC4H4N+
Molecular Weight66.08 g/mol
Exact Mass66.03
IUPAC Name2H-pyrrol-2-ylium
SMILESC1=C[CH+]N=C1
InChIInChI=1S/C4H4N/c1-2-4-5-3-1/h1-4H/q+1
InChIKeyBBNPVRVOZRHZDQ-UHFFFAOYSA-N
XLogP0.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.08
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2H-pyrrol-2-ylium with MolForge

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

Launch Full Analysis

Related Compounds

2H-pyrrole
CID 6857512
2H-azepine
CID 9964069
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(1E)-N-Methylprop-2-en-1-imine
CID 15361483
2H-pyrrol-1-ium
CID 52940261
4-Aza-1,3,6-heptatriene
CID 91105654
(E)-5-Azahepta-2,4-diene
CID 5463161
4-fluoro-2H-pyrrole
CID 58270127
2-fluoro-2H-pyrrole
CID 140269709
5-fluoro-2H-pyrrole
CID 142782216
3-fluoro-2H-pyrrole
CID 174808245
2-Ethenylidenepyrrole
CID 15272976

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrol-2-ylium?
The IUPAC name of 2H-pyrrol-2-ylium (CID 20755689) is 2H-pyrrol-2-ylium.
What is the SMILES notation for 2H-pyrrol-2-ylium?
The canonical SMILES for 2H-pyrrol-2-ylium is C1=C[CH+]N=C1.
What is the InChIKey of 2H-pyrrol-2-ylium?
The InChIKey is BBNPVRVOZRHZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N/c1-2-4-5-3-1/h1-4H/q+1.
What are the key properties of 2H-pyrrol-2-ylium?
2H-pyrrol-2-ylium has a molecular weight of 66.08 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrol-2-ylium is sourced from PubChem (CID 20755689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).