1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione

C14H13FN2O3 — CID 4197230

IUPAC1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,9H,5-8H2
InChIKeyDBPOMJMEVNAMCN-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.92
Rot. Bonds2

About 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione

1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 4197230) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione
PubChem CID4197230
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,9H,5-8H2
InChIKeyDBPOMJMEVNAMCN-UHFFFAOYSA-N
XLogP0.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.92
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-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione (CID 4197230) is 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione is O=C1C=C(N2CCOCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is DBPOMJMEVNAMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,9H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione?
1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 276.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 4197230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).