1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H10ClNO4 — CID 168691617

IUPAC1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2c(O)cccc2Cl)C1
InChIInChI=1S/C11H10ClNO4/c12-7-2-1-3-8(14)10(7)13-5-6(11(16)17)4-9(13)15/h1-3,6,14H,4-5H2,(H,16,17)
InChIKeyDNPVZDHFYIUKQO-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691617) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691617
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2c(O)cccc2Cl)C1
InChIInChI=1S/C11H10ClNO4/c12-7-2-1-3-8(14)10(7)13-5-6(11(16)17)4-9(13)15/h1-3,6,14H,4-5H2,(H,16,17)
InChIKeyDNPVZDHFYIUKQO-UHFFFAOYSA-N
XLogP1.48
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
3-chloro-2-(4-chloro-2-oxopyrrolidin-1-yl)benzoic acid
CID 168688895
1-(2,6-dichlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191212
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697513
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691216
1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691565
1-(4-chloro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692019

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691617) is 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2c(O)cccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DNPVZDHFYIUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c12-7-2-1-3-8(14)10(7)13-5-6(11(16)17)4-9(13)15/h1-3,6,14H,4-5H2,(H,16,17).
What are the key properties of 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).