1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione

C12H12BrNO2 — CID 81289584

IUPAC1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione
SMILESCCc1cc(Br)ccc1N1CCC(=O)C1=O
InChIInChI=1S/C12H12BrNO2/c1-2-8-7-9(13)3-4-10(8)14-6-5-11(15)12(14)16/h3-4,7H,2,5-6H2,1H3
InChIKeyIEHMRUHNNMUBHH-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione

1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione (PubChem CID 81289584) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione
PubChem CID81289584
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione
SMILESCCc1cc(Br)ccc1N1CCC(=O)C1=O
InChIInChI=1S/C12H12BrNO2/c1-2-8-7-9(13)3-4-10(8)14-6-5-11(15)12(14)16/h3-4,7H,2,5-6H2,1H3
InChIKeyIEHMRUHNNMUBHH-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione (CID 81289584) is 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione is CCc1cc(Br)ccc1N1CCC(=O)C1=O.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione?
The InChIKey is IEHMRUHNNMUBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-2-8-7-9(13)3-4-10(8)14-6-5-11(15)12(14)16/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione?
1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione has a molecular weight of 282.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 81289584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).