1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H10ClNO3 — CID 2804434

IUPAC1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H10ClNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyPBIAEAYJEYOSMG-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.78
Rot. Bonds2

About 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2804434) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2804434
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H10ClNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyPBIAEAYJEYOSMG-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2804434) is 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PBIAEAYJEYOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16).
What are the key properties of 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2804434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).