1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C17H20N2O4 — CID 71801609

IUPAC1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C17H20N2O4/c20-15-6-7-16(21)19(15)12-17(22)18-8-9-23-14(11-18)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyBYSHLDZQRUDYMF-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.61
Rot. Bonds4

About 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 71801609) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID71801609
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C17H20N2O4/c20-15-6-7-16(21)19(15)12-17(22)18-8-9-23-14(11-18)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyBYSHLDZQRUDYMF-UHFFFAOYSA-N
XLogP0.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.61
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-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 71801609) is 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is BYSHLDZQRUDYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-6-7-16(21)19(15)12-17(22)18-8-9-23-14(11-18)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71801609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).