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

C10H8BrNO2 — CID 14147034

IUPAC1-(2-bromophenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccccc1Br
InChIInChI=1S/C10H8BrNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKeyLMKLCIJKAHXTKR-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.10
Rot. Bonds1

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

1-(2-bromophenyl)pyrrolidine-2,5-dione (PubChem CID 14147034) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)pyrrolidine-2,5-dione
PubChem CID14147034
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name1-(2-bromophenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccccc1Br
InChIInChI=1S/C10H8BrNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChIKeyLMKLCIJKAHXTKR-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 1-(2-bromophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)pyrrolidine-2,5-dione (CID 14147034) is 1-(2-bromophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)pyrrolidine-2,5-dione?
The InChIKey is LMKLCIJKAHXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-4H,5-6H2.
What are the key properties of 1-(2-bromophenyl)pyrrolidine-2,5-dione?
1-(2-bromophenyl)pyrrolidine-2,5-dione has a molecular weight of 254.08 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 14147034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).