(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

C16H20N2O3 — CID 2689028

IUPAC(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@@H](N2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-11-4-3-5-12(2)15(11)18-14(19)10-13(16(18)20)17-6-8-21-9-7-17/h3-5,13H,6-10H2,1-2H3/t13-/m1/s1
InChIKeyABNJSNIALFKZGL-CYBMUJFWSA-N
MW288.35 g/mol
LogP1.27
Rot. Bonds2

About (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2689028) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2689028
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@@H](N2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-11-4-3-5-12(2)15(11)18-14(19)10-13(16(18)20)17-6-8-21-9-7-17/h3-5,13H,6-10H2,1-2H3/t13-/m1/s1
InChIKeyABNJSNIALFKZGL-CYBMUJFWSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2110216
(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2108600
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 42891823
(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 2492195
4-[(3S)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 710147
ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 2877522
[4-[(3R)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 1376662
(3S)-1-(2-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 896564
(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 7126435
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2689028) is (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCOCC2)C1=O.
What is the InChIKey of (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is ABNJSNIALFKZGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-4-3-5-12(2)15(11)18-14(19)10-13(16(18)20)17-6-8-21-9-7-17/h3-5,13H,6-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2689028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).