pyrrolidin-1-ylphosphanium bromide

C4H11BrNP — CID 57452285

IUPACpyrrolidin-1-ylphosphanium bromide
SMILES[Br-].[PH3+]N1CCCC1
InChIInChI=1S/C4H10NP.BrH/c6-5-3-1-2-4-5;/h1-4,6H2;1H
InChIKeyFKDUEZAODRRUSF-UHFFFAOYSA-N
MW184.02 g/mol
LogP-2.39
Rot. Bonds

About pyrrolidin-1-ylphosphanium bromide

pyrrolidin-1-ylphosphanium bromide (PubChem CID 57452285) has the molecular formula C4H11BrNP and a molecular weight of 184.02 g/mol. Its IUPAC name is pyrrolidin-1-ylphosphanium bromide.

Molecular Properties

Compound Namepyrrolidin-1-ylphosphanium bromide
PubChem CID57452285
Molecular FormulaC4H11BrNP
Molecular Weight184.02 g/mol
Exact Mass182.98
IUPAC Namepyrrolidin-1-ylphosphanium bromide
SMILES[Br-].[PH3+]N1CCCC1
InChIInChI=1S/C4H10NP.BrH/c6-5-3-1-2-4-5;/h1-4,6H2;1H
InChIKeyFKDUEZAODRRUSF-UHFFFAOYSA-N
XLogP-2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ylphosphanium bromide?
The IUPAC name of pyrrolidin-1-ylphosphanium bromide (CID 57452285) is pyrrolidin-1-ylphosphanium bromide.
What is the SMILES notation for pyrrolidin-1-ylphosphanium bromide?
The canonical SMILES for pyrrolidin-1-ylphosphanium bromide is [Br-].[PH3+]N1CCCC1.
What is the InChIKey of pyrrolidin-1-ylphosphanium bromide?
The InChIKey is FKDUEZAODRRUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NP.BrH/c6-5-3-1-2-4-5;/h1-4,6H2;1H.
What are the key properties of pyrrolidin-1-ylphosphanium bromide?
pyrrolidin-1-ylphosphanium bromide has a molecular weight of 184.02 g/mol, XLogP of -2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ylphosphanium bromide is sourced from PubChem (CID 57452285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).