3-cyclopentylpyrrolidine-2,5-dione

C9H13NO2 — CID 14918416

IUPAC3-cyclopentylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCC2)C(=O)N1
InChIInChI=1S/C9H13NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h6-7H,1-5H2,(H,10,11,12)
InChIKeyGSLAHOUMXIWQBZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds1

About 3-cyclopentylpyrrolidine-2,5-dione

3-cyclopentylpyrrolidine-2,5-dione (PubChem CID 14918416) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclopentylpyrrolidine-2,5-dione
PubChem CID14918416
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-cyclopentylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCC2)C(=O)N1
InChIInChI=1S/C9H13NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h6-7H,1-5H2,(H,10,11,12)
InChIKeyGSLAHOUMXIWQBZ-UHFFFAOYSA-N
XLogP0.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-cyclopentylpyrrolidine-2,5-dione (CID 14918416) is 3-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclopentylpyrrolidine-2,5-dione is O=C1CC(C2CCCC2)C(=O)N1.
What is the InChIKey of 3-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is GSLAHOUMXIWQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h6-7H,1-5H2,(H,10,11,12).
What are the key properties of 3-cyclopentylpyrrolidine-2,5-dione?
3-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 14918416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).