3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione

C14H13ClN2O3 — CID 720237

IUPAC3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyVQEIJJHEAFTVHY-UHFFFAOYSA-N
MW292.72 g/mol
LogP1.34
Rot. Bonds2

About 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione

3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione (PubChem CID 720237) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione
PubChem CID720237
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyVQEIJJHEAFTVHY-UHFFFAOYSA-N
XLogP1.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.34
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-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione (CID 720237) is 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione is O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione?
The InChIKey is VQEIJJHEAFTVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione?
3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione has a molecular weight of 292.72 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 720237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).