1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H9BrClNO3 — CID 81262940

IUPAC1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C11H9BrClNO3/c12-8-2-1-7(13)4-9(8)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)
InChIKeyYSHNDSOPVRNVLX-UHFFFAOYSA-N
MW318.55 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 81262940) has the molecular formula C11H9BrClNO3 and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID81262940
Molecular FormulaC11H9BrClNO3
Molecular Weight318.55 g/mol
Exact Mass316.95
IUPAC Name1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C11H9BrClNO3/c12-8-2-1-7(13)4-9(8)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)
InChIKeyYSHNDSOPVRNVLX-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-sulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691682
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690527
1-(3-chloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691584
[1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676926
1-(2-amino-4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691005
4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 113191077
1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398697
1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692175

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 81262940) is 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cc(Cl)ccc2Br)C1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YSHNDSOPVRNVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO3/c12-8-2-1-7(13)4-9(8)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17).
What are the key properties of 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 318.55 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81262940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).