1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H10BrNO3 — CID 2912208

IUPAC1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKeyMDFOXHGBFTXKQL-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.89
Rot. Bonds2

About 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2912208) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2912208
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKeyMDFOXHGBFTXKQL-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2912208) is 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MDFOXHGBFTXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2912208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).