1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione

C16H16BrNO3 — CID 75989853

IUPAC1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
SMILESO=C1CCCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H16BrNO3/c17-10-5-7-11(8-6-10)18-15(20)9-13(16(18)21)12-3-1-2-4-14(12)19/h5-8,12-13H,1-4,9H2
InChIKeyVWEDFIBVRJOWJJ-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.09
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione (PubChem CID 75989853) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
PubChem CID75989853
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
SMILESO=C1CCCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H16BrNO3/c17-10-5-7-11(8-6-10)18-15(20)9-13(16(18)21)12-3-1-2-4-14(12)19/h5-8,12-13H,1-4,9H2
InChIKeyVWEDFIBVRJOWJJ-UHFFFAOYSA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione (CID 75989853) is 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione is O=C1CCCCC1C1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
The InChIKey is VWEDFIBVRJOWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-10-5-7-11(8-6-10)18-15(20)9-13(16(18)21)12-3-1-2-4-14(12)19/h5-8,12-13H,1-4,9H2.
What are the key properties of 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione has a molecular weight of 350.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 75989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).