1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione

C11H15NO2 — CID 79516111

IUPAC1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C11H15NO2/c13-9-5-11(14)12(6-9)10-4-7-1-2-8(10)3-7/h7-8,10H,1-6H2
InChIKeyUXIOWKFUTNZQMY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.98
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione

1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione (PubChem CID 79516111) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione
PubChem CID79516111
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C11H15NO2/c13-9-5-11(14)12(6-9)10-4-7-1-2-8(10)3-7/h7-8,10H,1-6H2
InChIKeyUXIOWKFUTNZQMY-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione (CID 79516111) is 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione?
The InChIKey is UXIOWKFUTNZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-9-5-11(14)12(6-9)10-4-7-1-2-8(10)3-7/h7-8,10H,1-6H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione?
1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione has a molecular weight of 193.25 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79516111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).