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

C11H10BrNO3 — CID 63779229

IUPAC4-(5-bromo-2-methylphenyl)morpholine-2,6-dione
SMILESCc1ccc(Br)cc1N1CC(=O)OC(=O)C1
InChIInChI=1S/C11H10BrNO3/c1-7-2-3-8(12)4-9(7)13-5-10(14)16-11(15)6-13/h2-4H,5-6H2,1H3
InChIKeyHZCZZZLOGDILDO-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.65
Rot. Bonds1

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

4-(5-bromo-2-methylphenyl)morpholine-2,6-dione (PubChem CID 63779229) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)morpholine-2,6-dione
PubChem CID63779229
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name4-(5-bromo-2-methylphenyl)morpholine-2,6-dione
SMILESCc1ccc(Br)cc1N1CC(=O)OC(=O)C1
InChIInChI=1S/C11H10BrNO3/c1-7-2-3-8(12)4-9(7)13-5-10(14)16-11(15)6-13/h2-4H,5-6H2,1H3
InChIKeyHZCZZZLOGDILDO-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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Related Compounds

1-(5-bromo-2-methylphenyl)piperidine-2,6-dione
CID 43806726
4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
CID 107579563
3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one
CID 165460470
1-(5-bromo-2-methylphenyl)-1,4-diazepane
CID 64943208
4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione
CID 82819600
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
CID 65499867
4-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-one
CID 107410568
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
CID 65491246
4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
CID 117005223

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione?
The IUPAC name of 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione (CID 63779229) is 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione is Cc1ccc(Br)cc1N1CC(=O)OC(=O)C1.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione?
The InChIKey is HZCZZZLOGDILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-7-2-3-8(12)4-9(7)13-5-10(14)16-11(15)6-13/h2-4H,5-6H2,1H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)morpholine-2,6-dione?
4-(5-bromo-2-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-(5-bromo-2-methylphenyl)morpholine-2,6-dione is sourced from PubChem (CID 63779229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).