propan-2-ylphosphanium;pyrrolidine;bromide

C7H19BrNP — CID 160738467

IUPACpropan-2-ylphosphanium;pyrrolidine;bromide
SMILESC1CCNC1.CC(C)[PH3+].[Br-]
InChIInChI=1S/C4H9N.C3H9P.BrH/c1-2-4-5-3-1;1-3(2)4;/h5H,1-4H2;3H,4H2,1-2H3;1H
InChIKeyMLMKSBOBUIXCIG-UHFFFAOYSA-N
MW228.11 g/mol
LogP-1.62
Rot. Bonds

About propan-2-ylphosphanium;pyrrolidine;bromide

propan-2-ylphosphanium;pyrrolidine;bromide (PubChem CID 160738467) has the molecular formula C7H19BrNP and a molecular weight of 228.11 g/mol. Its IUPAC name is propan-2-ylphosphanium;pyrrolidine;bromide.

Molecular Properties

Compound Namepropan-2-ylphosphanium;pyrrolidine;bromide
PubChem CID160738467
Molecular FormulaC7H19BrNP
Molecular Weight228.11 g/mol
Exact Mass227.04
IUPAC Namepropan-2-ylphosphanium;pyrrolidine;bromide
SMILESC1CCNC1.CC(C)[PH3+].[Br-]
InChIInChI=1S/C4H9N.C3H9P.BrH/c1-2-4-5-3-1;1-3(2)4;/h5H,1-4H2;3H,4H2,1-2H3;1H
InChIKeyMLMKSBOBUIXCIG-UHFFFAOYSA-N
XLogP-1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylphosphanium;pyrrolidine;bromide?
The IUPAC name of propan-2-ylphosphanium;pyrrolidine;bromide (CID 160738467) is propan-2-ylphosphanium;pyrrolidine;bromide.
What is the SMILES notation for propan-2-ylphosphanium;pyrrolidine;bromide?
The canonical SMILES for propan-2-ylphosphanium;pyrrolidine;bromide is C1CCNC1.CC(C)[PH3+].[Br-].
What is the InChIKey of propan-2-ylphosphanium;pyrrolidine;bromide?
The InChIKey is MLMKSBOBUIXCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H9P.BrH/c1-2-4-5-3-1;1-3(2)4;/h5H,1-4H2;3H,4H2,1-2H3;1H.
What are the key properties of propan-2-ylphosphanium;pyrrolidine;bromide?
propan-2-ylphosphanium;pyrrolidine;bromide has a molecular weight of 228.11 g/mol, XLogP of -1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylphosphanium;pyrrolidine;bromide is sourced from PubChem (CID 160738467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).