(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium

C22H21NO4P+ — CID 174946949

IUPAC(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium
SMILESO=C1CCCN1[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H21NO4P/c24-22-17-10-18-23(22)28(25-19-11-4-1-5-12-19,26-20-13-6-2-7-14-20)27-21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2/q+1
InChIKeyIYKZARXPGLGXHN-UHFFFAOYSA-N
MW394.39 g/mol
LogP5.52
Rot. Bonds7

About (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium

(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium (PubChem CID 174946949) has the molecular formula C22H21NO4P+ and a molecular weight of 394.39 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium
PubChem CID174946949
Molecular FormulaC22H21NO4P+
Molecular Weight394.39 g/mol
Exact Mass394.12
IUPAC Name(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium
SMILESO=C1CCCN1[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C22H21NO4P/c24-22-17-10-18-23(22)28(25-19-11-4-1-5-12-19,26-20-13-6-2-7-14-20)27-21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2/q+1
InChIKeyIYKZARXPGLGXHN-UHFFFAOYSA-N
XLogP5.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxypyrrolidin-2-one
CID 67175773
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
benzotriazol-1-yloxy-tris(2-oxopyrrolidin-1-yl)phosphanium hexafluorophosphate
CID 175527001
phenyl 2-oxopiperidine-1-carboxylate
CID 10036365
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 11264129

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium?
The IUPAC name of (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium (CID 174946949) is (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium.
What is the SMILES notation for (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium?
The canonical SMILES for (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium is O=C1CCCN1[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium?
The InChIKey is IYKZARXPGLGXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4P/c24-22-17-10-18-23(22)28(25-19-11-4-1-5-12-19,26-20-13-6-2-7-14-20)27-21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2/q+1.
What are the key properties of (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium?
(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium has a molecular weight of 394.39 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl)-triphenoxyphosphanium is sourced from PubChem (CID 174946949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).