2,3-dihydropyrrol-2-ylium

C4H4N+ — CID 58373898

IUPAC2,3-dihydropyrrol-2-ylium
SMILES[C+]1=NC=CC1
InChIInChI=1S/C4H4N/c1-2-4-5-3-1/h1,3H,2H2/q+1
InChIKeyYAZTZIWFXCGNBD-UHFFFAOYSA-N
MW66.08 g/mol
LogP0.85
Rot. Bonds

About 2,3-dihydropyrrol-2-ylium

2,3-dihydropyrrol-2-ylium (PubChem CID 58373898) has the molecular formula C4H4N+ and a molecular weight of 66.08 g/mol. Its IUPAC name is 2,3-dihydropyrrol-2-ylium.

Molecular Properties

Compound Name2,3-dihydropyrrol-2-ylium
PubChem CID58373898
Molecular FormulaC4H4N+
Molecular Weight66.08 g/mol
Exact Mass66.03
IUPAC Name2,3-dihydropyrrol-2-ylium
SMILES[C+]1=NC=CC1
InChIInChI=1S/C4H4N/c1-2-4-5-3-1/h1,3H,2H2/q+1
InChIKeyYAZTZIWFXCGNBD-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrol-2-ylium?
The IUPAC name of 2,3-dihydropyrrol-2-ylium (CID 58373898) is 2,3-dihydropyrrol-2-ylium.
What is the SMILES notation for 2,3-dihydropyrrol-2-ylium?
The canonical SMILES for 2,3-dihydropyrrol-2-ylium is [C+]1=NC=CC1.
What is the InChIKey of 2,3-dihydropyrrol-2-ylium?
The InChIKey is YAZTZIWFXCGNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N/c1-2-4-5-3-1/h1,3H,2H2/q+1.
What are the key properties of 2,3-dihydropyrrol-2-ylium?
2,3-dihydropyrrol-2-ylium has a molecular weight of 66.08 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrol-2-ylium is sourced from PubChem (CID 58373898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).