dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium

C24H23N2O2+ — CID 7434882

IUPACdibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
SMILESO=C1C[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23-16-22(24(28)26(23)21-14-8-3-9-15-21)25(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15,22H,16-18H2/p+1/t22-/m1/s1
InChIKeyFXUYFNRCKOFAMO-JOCHJYFZSA-O
MW371.46 g/mol
LogP2.60
Rot. Bonds6

About dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium

dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium (PubChem CID 7434882) has the molecular formula C24H23N2O2+ and a molecular weight of 371.46 g/mol. Its IUPAC name is dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium.

Molecular Properties

Compound Namedibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
PubChem CID7434882
Molecular FormulaC24H23N2O2+
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Namedibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
SMILESO=C1C[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H22N2O2/c27-23-16-22(24(28)26(23)21-14-8-3-9-15-21)25(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15,22H,16-18H2/p+1/t22-/m1/s1
InChIKeyFXUYFNRCKOFAMO-JOCHJYFZSA-O
XLogP2.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
CID 7439653
benzyl-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 3488716
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462
benzyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7329798
diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
CID 6988170
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The IUPAC name of dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium (CID 7434882) is dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium.
What is the SMILES notation for dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The canonical SMILES for dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium is O=C1C[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
The InChIKey is FXUYFNRCKOFAMO-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H22N2O2/c27-23-16-22(24(28)26(23)21-14-8-3-9-15-21)25(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15,22H,16-18H2/p+1/t22-/m1/s1.
What are the key properties of dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium?
dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium has a molecular weight of 371.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium is sourced from PubChem (CID 7434882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).