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

C11H15NO4 — CID 61289725

IUPAC1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CCC(=O)N1C1(C(=O)O)CCCCC1
InChIInChI=1S/C11H15NO4/c13-8-4-5-9(14)12(8)11(10(15)16)6-2-1-3-7-11/h1-7H2,(H,15,16)
InChIKeyHOOLDUJCVHBNBP-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.92
Rot. Bonds2

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

1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 61289725) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID61289725
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CCC(=O)N1C1(C(=O)O)CCCCC1
InChIInChI=1S/C11H15NO4/c13-8-4-5-9(14)12(8)11(10(15)16)6-2-1-3-7-11/h1-7H2,(H,15,16)
InChIKeyHOOLDUJCVHBNBP-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 61289725) is 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is O=C1CCC(=O)N1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HOOLDUJCVHBNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-8-4-5-9(14)12(8)11(10(15)16)6-2-1-3-7-11/h1-7H2,(H,15,16).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61289725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).