3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione

C12H12BrNO2 — CID 43155337

IUPAC3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione
SMILESCCC1(c2ccc(Br)cc2)CC(=O)NC1=O
InChIInChI=1S/C12H12BrNO2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,15,16)
InChIKeyXYNUEOKBKZOMAT-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.14
Rot. Bonds2

About 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione

3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione (PubChem CID 43155337) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione
PubChem CID43155337
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione
SMILESCCC1(c2ccc(Br)cc2)CC(=O)NC1=O
InChIInChI=1S/C12H12BrNO2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,15,16)
InChIKeyXYNUEOKBKZOMAT-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione (CID 43155337) is 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione is CCC1(c2ccc(Br)cc2)CC(=O)NC1=O.
What is the InChIKey of 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione?
The InChIKey is XYNUEOKBKZOMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione?
3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione has a molecular weight of 282.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).