3-pyrrolidin-1-ylpyrrolidine-2,5-dione

C8H12N2O2 — CID 23170957

IUPAC3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h6H,1-5H2,(H,9,11,12)
InChIKeyMJCFVTJYDSSDSE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.50
Rot. Bonds1

About 3-pyrrolidin-1-ylpyrrolidine-2,5-dione

3-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 23170957) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID23170957
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h6H,1-5H2,(H,9,11,12)
InChIKeyMJCFVTJYDSSDSE-UHFFFAOYSA-N
XLogP-0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.50
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 3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 23170957) is 3-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-pyrrolidin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCCC2)C(=O)N1.
What is the InChIKey of 3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is MJCFVTJYDSSDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-5-6(8(12)9-7)10-3-1-2-4-10/h6H,1-5H2,(H,9,11,12).
What are the key properties of 3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
3-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 23170957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).