1-cyclooctylpyrrolidine-2,4-dione

C12H19NO2 — CID 79516413

IUPAC1-cyclooctylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C12H19NO2/c14-11-8-12(15)13(9-11)10-6-4-2-1-3-5-7-10/h10H,1-9H2
InChIKeySJZQTZFLWAYBNR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds1

About 1-cyclooctylpyrrolidine-2,4-dione

1-cyclooctylpyrrolidine-2,4-dione (PubChem CID 79516413) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclooctylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclooctylpyrrolidine-2,4-dione
PubChem CID79516413
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclooctylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C12H19NO2/c14-11-8-12(15)13(9-11)10-6-4-2-1-3-5-7-10/h10H,1-9H2
InChIKeySJZQTZFLWAYBNR-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
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-cyclooctylpyrrolidine-2,4-dione?
The IUPAC name of 1-cyclooctylpyrrolidine-2,4-dione (CID 79516413) is 1-cyclooctylpyrrolidine-2,4-dione.
What is the SMILES notation for 1-cyclooctylpyrrolidine-2,4-dione?
The canonical SMILES for 1-cyclooctylpyrrolidine-2,4-dione is O=C1CC(=O)N(C2CCCCCCC2)C1.
What is the InChIKey of 1-cyclooctylpyrrolidine-2,4-dione?
The InChIKey is SJZQTZFLWAYBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11-8-12(15)13(9-11)10-6-4-2-1-3-5-7-10/h10H,1-9H2.
What are the key properties of 1-cyclooctylpyrrolidine-2,4-dione?
1-cyclooctylpyrrolidine-2,4-dione has a molecular weight of 209.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylpyrrolidine-2,4-dione is sourced from PubChem (CID 79516413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).