(2-oxopyrrolidin-3-yl)-triphenylphosphanium

C22H21NOP+ — CID 10788547

IUPAC(2-oxopyrrolidin-3-yl)-triphenylphosphanium
SMILESO=C1NCCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c24-22-21(16-17-23-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/p+1
InChIKeyNKZRFONZVKNTTB-UHFFFAOYSA-O
MW346.39 g/mol
LogP2.87
Rot. Bonds4

About (2-oxopyrrolidin-3-yl)-triphenylphosphanium

(2-oxopyrrolidin-3-yl)-triphenylphosphanium (PubChem CID 10788547) has the molecular formula C22H21NOP+ and a molecular weight of 346.39 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl)-triphenylphosphanium
PubChem CID10788547
Molecular FormulaC22H21NOP+
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(2-oxopyrrolidin-3-yl)-triphenylphosphanium
SMILESO=C1NCCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c24-22-21(16-17-23-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/p+1
InChIKeyNKZRFONZVKNTTB-UHFFFAOYSA-O
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.87
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

(2-oxooxolan-3-yl)-triphenylphosphanium
CID 6332532
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 142674016
(1-hydroxy-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 11797445
(4S)-4-amino-3-benzylpiperidin-2-one
CID 70085513
cyclohexyl(triphenyl)phosphanium chloride
CID 18407754
3-(benzenesulfonyl)pyrrolidin-2-one
CID 141214960
(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-triphenylphosphanium
CID 10790361
(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
CID 22403717
(1-tert-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 22403727
cyclodecyl(triphenyl)phosphanium
CID 156526903
triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium
CID 11083310
3-(dibenzylamino)pyrrolidin-2-one
CID 85390185

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl)-triphenylphosphanium?
The IUPAC name of (2-oxopyrrolidin-3-yl)-triphenylphosphanium (CID 10788547) is (2-oxopyrrolidin-3-yl)-triphenylphosphanium.
What is the SMILES notation for (2-oxopyrrolidin-3-yl)-triphenylphosphanium?
The canonical SMILES for (2-oxopyrrolidin-3-yl)-triphenylphosphanium is O=C1NCCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxopyrrolidin-3-yl)-triphenylphosphanium?
The InChIKey is NKZRFONZVKNTTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20NOP/c24-22-21(16-17-23-22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/p+1.
What are the key properties of (2-oxopyrrolidin-3-yl)-triphenylphosphanium?
(2-oxopyrrolidin-3-yl)-triphenylphosphanium has a molecular weight of 346.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl)-triphenylphosphanium is sourced from PubChem (CID 10788547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).