2,5-dihydro-1H-pyrrol-1-ium

C4H8N+ — CID 7318907

IUPAC2,5-dihydro-1H-pyrrol-1-ium
SMILESC1=CC[NH2+]C1
InChIInChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2/p+1
InChIKeyJVQIKJMSUIMUDI-UHFFFAOYSA-O
MW70.11 g/mol
LogP-0.88
Rot. Bonds

About 2,5-dihydro-1H-pyrrol-1-ium

2,5-dihydro-1H-pyrrol-1-ium (PubChem CID 7318907) has the molecular formula C4H8N+ and a molecular weight of 70.11 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-1-ium.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-1-ium
PubChem CID7318907
Molecular FormulaC4H8N+
Molecular Weight70.11 g/mol
Exact Mass70.07
IUPAC Name2,5-dihydro-1H-pyrrol-1-ium
SMILESC1=CC[NH2+]C1
InChIInChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2/p+1
InChIKeyJVQIKJMSUIMUDI-UHFFFAOYSA-O
XLogP-0.88
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.11
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-1-ium?
The IUPAC name of 2,5-dihydro-1H-pyrrol-1-ium (CID 7318907) is 2,5-dihydro-1H-pyrrol-1-ium.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-1-ium?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-1-ium is C1=CC[NH2+]C1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-1-ium?
The InChIKey is JVQIKJMSUIMUDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2/p+1.
What are the key properties of 2,5-dihydro-1H-pyrrol-1-ium?
2,5-dihydro-1H-pyrrol-1-ium has a molecular weight of 70.11 g/mol, XLogP of -0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-1-ium is sourced from PubChem (CID 7318907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).