1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione

C11H11BrN2O2 — CID 104815174

IUPAC1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(Br)c(N2C(=O)CCC2=O)cc1N
InChIInChI=1S/C11H11BrN2O2/c1-6-4-7(12)9(5-8(6)13)14-10(15)2-3-11(14)16/h4-5H,2-3,13H2,1H3
InChIKeyVTRJMWZIVNDUJJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.99
Rot. Bonds1

About 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione

1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 104815174) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID104815174
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(Br)c(N2C(=O)CCC2=O)cc1N
InChIInChI=1S/C11H11BrN2O2/c1-6-4-7(12)9(5-8(6)13)14-10(15)2-3-11(14)16/h4-5H,2-3,13H2,1H3
InChIKeyVTRJMWZIVNDUJJ-UHFFFAOYSA-N
XLogP1.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione (CID 104815174) is 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione is Cc1cc(Br)c(N2C(=O)CCC2=O)cc1N.
What is the InChIKey of 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is VTRJMWZIVNDUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6-4-7(12)9(5-8(6)13)14-10(15)2-3-11(14)16/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione?
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 283.12 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromo-4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 104815174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).