3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione

C9H11BrN2O3 — CID 59354746

IUPAC3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(Br)=C(N2CCOCC2)C1=O
InChIInChI=1S/C9H11BrN2O3/c1-11-8(13)6(10)7(9(11)14)12-2-4-15-5-3-12/h2-5H2,1H3
InChIKeyRMZLDAIIWWOJCY-UHFFFAOYSA-N
MW275.10 g/mol
LogP-0.08
Rot. Bonds1

About 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione

3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 59354746) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID59354746
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCN1C(=O)C(Br)=C(N2CCOCC2)C1=O
InChIInChI=1S/C9H11BrN2O3/c1-11-8(13)6(10)7(9(11)14)12-2-4-15-5-3-12/h2-5H2,1H3
InChIKeyRMZLDAIIWWOJCY-UHFFFAOYSA-N
XLogP-0.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrole-2,5-dione, 1-methyl-3-(4-morpholinyl)-
CID 5302612
5-bromo-1,3-dimethyl-6-(morpholinomethyl)pyrimidine-2,4(1H,3H)-dione
CID 13014907
5-bromo-1,3-dimethyl-6-(4-morpholinylcarbonyl)-2,4(1H,3H)-pyrimidinedione
CID 38112476

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 59354746) is 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione is CN1C(=O)C(Br)=C(N2CCOCC2)C1=O.
What is the InChIKey of 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is RMZLDAIIWWOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-11-8(13)6(10)7(9(11)14)12-2-4-15-5-3-12/h2-5H2,1H3.
What are the key properties of 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione?
3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 275.10 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 59354746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).