1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione

C17H17F3N2O4 — CID 56763875

IUPAC1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)12-3-1-11(2-4-12)13-9-21(7-8-26-13)16(25)10-22-14(23)5-6-15(22)24/h1-4,13H,5-10H2
InChIKeyKHYZUHZIALKLTC-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 56763875) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID56763875
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)12-3-1-11(2-4-12)13-9-21(7-8-26-13)16(25)10-22-14(23)5-6-15(22)24/h1-4,13H,5-10H2
InChIKeyKHYZUHZIALKLTC-UHFFFAOYSA-N
XLogP1.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.75
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 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione (CID 56763875) is 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is KHYZUHZIALKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c18-17(19,20)12-3-1-11(2-4-12)13-9-21(7-8-26-13)16(25)10-22-14(23)5-6-15(22)24/h1-4,13H,5-10H2.
What are the key properties of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 370.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 56763875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).