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

C11H13NO4 — CID 64817617

IUPAC2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C11H13NO4/c13-9-5-6-10(14)12(9)8-4-2-1-3-7(8)11(15)16/h5-8H,1-4H2,(H,15,16)
InChIKeyOKSBZUFGEKUOSV-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.55
Rot. Bonds2

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

2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 64817617) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID64817617
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C11H13NO4/c13-9-5-6-10(14)12(9)8-4-2-1-3-7(8)11(15)16/h5-8H,1-4H2,(H,15,16)
InChIKeyOKSBZUFGEKUOSV-UHFFFAOYSA-N
XLogP0.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid (CID 64817617) is 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is OKSBZUFGEKUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9-5-6-10(14)12(9)8-4-2-1-3-7(8)11(15)16/h5-8H,1-4H2,(H,15,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid?
2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).