3-propylpyrrolidine-2,5-dione

C7H11NO2 — CID 12648193

IUPAC3-propylpyrrolidine-2,5-dione
SMILESCCCC1CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-2-3-5-4-6(9)8-7(5)10/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyLWLBBGCCSWKJLA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds2

About 3-propylpyrrolidine-2,5-dione

3-propylpyrrolidine-2,5-dione (PubChem CID 12648193) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-propylpyrrolidine-2,5-dione
PubChem CID12648193
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-propylpyrrolidine-2,5-dione
SMILESCCCC1CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-2-3-5-4-6(9)8-7(5)10/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyLWLBBGCCSWKJLA-UHFFFAOYSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
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-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-propylpyrrolidine-2,5-dione (CID 12648193) is 3-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-propylpyrrolidine-2,5-dione is CCCC1CC(=O)NC1=O.
What is the InChIKey of 3-propylpyrrolidine-2,5-dione?
The InChIKey is LWLBBGCCSWKJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-5-4-6(9)8-7(5)10/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 3-propylpyrrolidine-2,5-dione?
3-propylpyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 12648193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).