(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide

C25H25BrNOP — CID 10719020

IUPAC(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1C1CC1.[Br-]
InChIInChI=1S/C25H25NOP.BrH/c27-25-24(18-19-26(25)20-16-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-15,20,24H,16-19H2;1H/q+1;/p-1
InChIKeyWTJCKFZRAGHNEG-UHFFFAOYSA-M
MW466.36 g/mol
LogP0.75
Rot. Bonds5

About (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide

(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide (PubChem CID 10719020) has the molecular formula C25H25BrNOP and a molecular weight of 466.36 g/mol. Its IUPAC name is (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
PubChem CID10719020
Molecular FormulaC25H25BrNOP
Molecular Weight466.36 g/mol
Exact Mass465.09
IUPAC Name(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1C1CC1.[Br-]
InChIInChI=1S/C25H25NOP.BrH/c27-25-24(18-19-26(25)20-16-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-15,20,24H,16-19H2;1H/q+1;/p-1
InChIKeyWTJCKFZRAGHNEG-UHFFFAOYSA-M
XLogP0.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 50.75
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 (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The IUPAC name of (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide (CID 10719020) is (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide.
What is the SMILES notation for (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The canonical SMILES for (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1C1CC1.[Br-].
What is the InChIKey of (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The InChIKey is WTJCKFZRAGHNEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H25NOP.BrH/c27-25-24(18-19-26(25)20-16-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-15,20,24H,16-19H2;1H/q+1;/p-1.
What are the key properties of (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide has a molecular weight of 466.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide is sourced from PubChem (CID 10719020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).