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

C14H19N2O2+ — CID 7434876

IUPAC[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-15(4-2)12-10-13(17)16(14(12)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/p+1/t12-/m1/s1
InChIKeyMHTCYIZAJUFFCK-GFCCVEGCSA-O
MW247.32 g/mol
LogP0.24
Rot. Bonds4

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

[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium (PubChem CID 7434876) has the molecular formula C14H19N2O2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium.

Molecular Properties

Compound Name[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
PubChem CID7434876
Molecular FormulaC14H19N2O2+
Molecular Weight247.32 g/mol
Exact Mass247.14
IUPAC Name[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-15(4-2)12-10-13(17)16(14(12)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/p+1/t12-/m1/s1
InChIKeyMHTCYIZAJUFFCK-GFCCVEGCSA-O
XLogP0.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.24
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-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462
dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7434882
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
CID 7439653
[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 6947342
diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
CID 6988170
[(3S)-1-[4-(2-butoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 7323110
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
benzyl-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 3488716
benzyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7329798
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium?
The IUPAC name of [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium (CID 7434876) is [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium.
What is the SMILES notation for [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium?
The canonical SMILES for [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium is CC[NH+](CC)[C@@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium?
The InChIKey is MHTCYIZAJUFFCK-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H18N2O2/c1-3-15(4-2)12-10-13(17)16(14(12)18)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium?
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium has a molecular weight of 247.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium is sourced from PubChem (CID 7434876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).