[4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate

C16H18N2O5 — CID 2827739

IUPAC[4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H18N2O5/c1-11(19)23-13-4-2-12(3-5-13)18-15(20)10-14(16(18)21)17-6-8-22-9-7-17/h2-5,14H,6-10H2,1H3
InChIKeyLHVFUWTUJSKXEH-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.58
Rot. Bonds3

About [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate

[4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate (PubChem CID 2827739) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate
PubChem CID2827739
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H18N2O5/c1-11(19)23-13-4-2-12(3-5-13)18-15(20)10-14(16(18)21)17-6-8-22-9-7-17/h2-5,14H,6-10H2,1H3
InChIKeyLHVFUWTUJSKXEH-UHFFFAOYSA-N
XLogP0.58
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate?
The IUPAC name of [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate (CID 2827739) is [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate.
What is the SMILES notation for [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate?
The canonical SMILES for [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate is CC(=O)Oc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1.
What is the InChIKey of [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate?
The InChIKey is LHVFUWTUJSKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11(19)23-13-4-2-12(3-5-13)18-15(20)10-14(16(18)21)17-6-8-22-9-7-17/h2-5,14H,6-10H2,1H3.
What are the key properties of [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate?
[4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate has a molecular weight of 318.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)phenyl] acetate is sourced from PubChem (CID 2827739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).