4-(3-bromo-5-methylphenyl)morpholine-2,6-dione

C11H10BrNO3 — CID 107579563

IUPAC4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
SMILESCc1cc(Br)cc(N2CC(=O)OC(=O)C2)c1
InChIInChI=1S/C11H10BrNO3/c1-7-2-8(12)4-9(3-7)13-5-10(14)16-11(15)6-13/h2-4H,5-6H2,1H3
InChIKeyLAHIZEKINKJEDG-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.65
Rot. Bonds1

About 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione

4-(3-bromo-5-methylphenyl)morpholine-2,6-dione (PubChem CID 107579563) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
PubChem CID107579563
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
SMILESCc1cc(Br)cc(N2CC(=O)OC(=O)C2)c1
InChIInChI=1S/C11H10BrNO3/c1-7-2-8(12)4-9(3-7)13-5-10(14)16-11(15)6-13/h2-4H,5-6H2,1H3
InChIKeyLAHIZEKINKJEDG-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione?
The IUPAC name of 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione (CID 107579563) is 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione is Cc1cc(Br)cc(N2CC(=O)OC(=O)C2)c1.
What is the InChIKey of 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione?
The InChIKey is LAHIZEKINKJEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-7-2-8(12)4-9(3-7)13-5-10(14)16-11(15)6-13/h2-4H,5-6H2,1H3.
What are the key properties of 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione?
4-(3-bromo-5-methylphenyl)morpholine-2,6-dione has a molecular weight of 284.11 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methylphenyl)morpholine-2,6-dione is sourced from PubChem (CID 107579563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).