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

C22H21BrNO2P — CID 11797445

IUPAC(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1O.[Br-]
InChIInChI=1S/C22H21NO2P.BrH/c24-22-21(16-17-23(22)25)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21,25H,16-17H2;1H/q+1;/p-1
InChIKeyKWLHISNOKNVRSU-UHFFFAOYSA-M
MW442.29 g/mol
LogP-0.03
Rot. Bonds4

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

(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide (PubChem CID 11797445) has the molecular formula C22H21BrNO2P and a molecular weight of 442.29 g/mol. Its IUPAC name is (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
PubChem CID11797445
Molecular FormulaC22H21BrNO2P
Molecular Weight442.29 g/mol
Exact Mass441.05
IUPAC Name(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1O.[Br-]
InChIInChI=1S/C22H21NO2P.BrH/c24-22-21(16-17-23(22)25)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21,25H,16-17H2;1H/q+1;/p-1
InChIKeyKWLHISNOKNVRSU-UHFFFAOYSA-M
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-cyclopropyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10719020
(1-tert-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 22403727
[1-(cyclopropylmethyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 10838424
(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
CID 22403717
(1-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10672424
[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 18972680
(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium
CID 10790361
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 87795390
[1-[(2-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18978745
[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18978728
[1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 22403580
[1-(3-nitrophenyl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 10602672

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The IUPAC name of (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide (CID 11797445) is (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide.
What is the SMILES notation for (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The canonical SMILES for (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCN1O.[Br-].
What is the InChIKey of (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The InChIKey is KWLHISNOKNVRSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21NO2P.BrH/c24-22-21(16-17-23(22)25)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21,25H,16-17H2;1H/q+1;/p-1.
What are the key properties of (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide has a molecular weight of 442.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide is sourced from PubChem (CID 11797445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).