1-(2-bromoacetyl)pyrrolidine-2,5-dione

C6H6BrNO3 — CID 45080681

IUPAC1-(2-bromoacetyl)pyrrolidine-2,5-dione
SMILESO=C(CBr)N1C(=O)CCC1=O
InChIInChI=1S/C6H6BrNO3/c7-3-6(11)8-4(9)1-2-5(8)10/h1-3H2
InChIKeyODZCFWBINWBUAU-UHFFFAOYSA-N
MW220.02 g/mol
LogP0.06
Rot. Bonds1

About 1-(2-bromoacetyl)pyrrolidine-2,5-dione

1-(2-bromoacetyl)pyrrolidine-2,5-dione (PubChem CID 45080681) has the molecular formula C6H6BrNO3 and a molecular weight of 220.02 g/mol. Its IUPAC name is 1-(2-bromoacetyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromoacetyl)pyrrolidine-2,5-dione
PubChem CID45080681
Molecular FormulaC6H6BrNO3
Molecular Weight220.02 g/mol
Exact Mass218.95
IUPAC Name1-(2-bromoacetyl)pyrrolidine-2,5-dione
SMILESO=C(CBr)N1C(=O)CCC1=O
InChIInChI=1S/C6H6BrNO3/c7-3-6(11)8-4(9)1-2-5(8)10/h1-3H2
InChIKeyODZCFWBINWBUAU-UHFFFAOYSA-N
XLogP0.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.02
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoacetyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromoacetyl)pyrrolidine-2,5-dione (CID 45080681) is 1-(2-bromoacetyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromoacetyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromoacetyl)pyrrolidine-2,5-dione is O=C(CBr)N1C(=O)CCC1=O.
What is the InChIKey of 1-(2-bromoacetyl)pyrrolidine-2,5-dione?
The InChIKey is ODZCFWBINWBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO3/c7-3-6(11)8-4(9)1-2-5(8)10/h1-3H2.
What are the key properties of 1-(2-bromoacetyl)pyrrolidine-2,5-dione?
1-(2-bromoacetyl)pyrrolidine-2,5-dione has a molecular weight of 220.02 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoacetyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45080681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).