1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione

C11H15NO3 — CID 130505208

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(CC2CC3CCC2O3)C1
InChIInChI=1S/C11H15NO3/c13-8-4-11(14)12(6-8)5-7-3-9-1-2-10(7)15-9/h7,9-10H,1-6H2
InChIKeyLPXMENUHFWEGOD-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.36
Rot. Bonds2

About 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione

1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione (PubChem CID 130505208) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione
PubChem CID130505208
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(CC2CC3CCC2O3)C1
InChIInChI=1S/C11H15NO3/c13-8-4-11(14)12(6-8)5-7-3-9-1-2-10(7)15-9/h7,9-10H,1-6H2
InChIKeyLPXMENUHFWEGOD-UHFFFAOYSA-N
XLogP0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione (CID 130505208) is 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(CC2CC3CCC2O3)C1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione?
The InChIKey is LPXMENUHFWEGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-4-11(14)12(6-8)5-7-3-9-1-2-10(7)15-9/h7,9-10H,1-6H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione?
1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione has a molecular weight of 209.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 130505208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).