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

C11H10BrNO3 — CID 60975341

IUPAC4-(2-bromo-4-methylphenyl)morpholine-3,5-dione
SMILESCc1ccc(N2C(=O)COCC2=O)c(Br)c1
InChIInChI=1S/C11H10BrNO3/c1-7-2-3-9(8(12)4-7)13-10(14)5-16-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyGNCYRESEKPWACG-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.65
Rot. Bonds1

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

4-(2-bromo-4-methylphenyl)morpholine-3,5-dione (PubChem CID 60975341) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenyl)morpholine-3,5-dione
PubChem CID60975341
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name4-(2-bromo-4-methylphenyl)morpholine-3,5-dione
SMILESCc1ccc(N2C(=O)COCC2=O)c(Br)c1
InChIInChI=1S/C11H10BrNO3/c1-7-2-3-9(8(12)4-7)13-10(14)5-16-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyGNCYRESEKPWACG-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromo-2-methylphenyl)morpholine-3,5-dione
CID 107640888
2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430503
2-(2-bromo-4-methylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3140663
2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385991
(1R,2R,6S,7S)-4-(2-bromo-4-methylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2177179
4-(2-bromo-4-methylphenyl)-1,4-diazepan-5-one
CID 82307419
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
1-(2-bromo-4-methylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708828
5-bromo-2-(3,5-dioxomorpholin-4-yl)benzenecarbothioamide
CID 82704423
3-(2-bromo-4-methylphenyl)-6-phenyl-3,6-diazabicyclo[3.1.0]hexane-2,4-dione
CID 3848173
1-(2-bromo-4-methylphenyl)-1,4-diazepane-2,5-dione
CID 64962058
7-bromo-1-[(4-methylphenyl)methyl]-5H-4,1-benzoxazepin-2-one
CID 71447397

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione?
The IUPAC name of 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione (CID 60975341) is 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione is Cc1ccc(N2C(=O)COCC2=O)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione?
The InChIKey is GNCYRESEKPWACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-7-2-3-9(8(12)4-7)13-10(14)5-16-6-11(13)15/h2-4H,5-6H2,1H3.
What are the key properties of 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione?
4-(2-bromo-4-methylphenyl)morpholine-3,5-dione has a molecular weight of 284.11 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenyl)morpholine-3,5-dione is sourced from PubChem (CID 60975341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).