3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H10ClNO3 — CID 72810364

IUPAC3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2ccc(Cl)cc2)C(C(=O)O)N1
InChIInChI=1S/C11H10ClNO3/c12-7-3-1-6(2-4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)
InChIKeySZOMBCQXORQIFV-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.40
Rot. Bonds2

About 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid

3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 72810364) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID72810364
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2ccc(Cl)cc2)C(C(=O)O)N1
InChIInChI=1S/C11H10ClNO3/c12-7-3-1-6(2-4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)
InChIKeySZOMBCQXORQIFV-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 72810364) is 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C1CC(c2ccc(Cl)cc2)C(C(=O)O)N1.
What is the InChIKey of 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is SZOMBCQXORQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-7-3-1-6(2-4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 72810364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).