2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C11H15NO4 — CID 64817616

IUPAC2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1C(=O)CCC1=O
InChIInChI=1S/C11H15NO4/c13-9-5-6-10(14)12(9)8-4-2-1-3-7(8)11(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyIMRUQIJWSLEIPW-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.78
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 64817616) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID64817616
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1C(=O)CCC1=O
InChIInChI=1S/C11H15NO4/c13-9-5-6-10(14)12(9)8-4-2-1-3-7(8)11(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyIMRUQIJWSLEIPW-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dioxothiomorpholin-4-yl)cyclohexane-1-carboxylic acid
CID 104570460
1-[2-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]pyrrolidine-2,5-dione
CID 118894944
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
2-(2-oxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64818226
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 64815698
1-(2-hydroxycyclohexyl)azepane-2,7-dione
CID 60884902
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
2-(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 54050230
2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 64817616) is 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is IMRUQIJWSLEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-9-5-6-10(14)12(9)8-4-2-1-3-7(8)11(15)16/h7-8H,1-6H2,(H,15,16).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).