3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione

C16H20N2O3 — CID 3124565

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCC1CN(C2CC(=O)N(c3ccccc3)C2=O)CC(C)O1
InChIInChI=1S/C16H20N2O3/c1-11-9-17(10-12(2)21-11)14-8-15(19)18(16(14)20)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyBTWQJIUSPOOTMM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.43
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 3124565) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID3124565
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCC1CN(C2CC(=O)N(c3ccccc3)C2=O)CC(C)O1
InChIInChI=1S/C16H20N2O3/c1-11-9-17(10-12(2)21-11)14-8-15(19)18(16(14)20)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyBTWQJIUSPOOTMM-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione (CID 3124565) is 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione is CC1CN(C2CC(=O)N(c3ccccc3)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is BTWQJIUSPOOTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-9-17(10-12(2)21-11)14-8-15(19)18(16(14)20)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3124565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).