1-propylpyrrolidine-2,5-dione

C7H11NO2 — CID 18983

IUPAC1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CCC1=O
InChIInChI=1S/C7H11NO2/c1-2-5-8-6(9)3-4-7(8)10/h2-5H2,1H3
InChIKeyBTNMOVUCMBMKNZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.55
Rot. Bonds2

About 1-propylpyrrolidine-2,5-dione

1-propylpyrrolidine-2,5-dione (PubChem CID 18983) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propylpyrrolidine-2,5-dione
PubChem CID18983
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CCC1=O
InChIInChI=1S/C7H11NO2/c1-2-5-8-6(9)3-4-7(8)10/h2-5H2,1H3
InChIKeyBTNMOVUCMBMKNZ-UHFFFAOYSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-propylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propylpyrrolidine-2,5-dione?
The IUPAC name of 1-propylpyrrolidine-2,5-dione (CID 18983) is 1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CCC1=O.
What is the InChIKey of 1-propylpyrrolidine-2,5-dione?
The InChIKey is BTNMOVUCMBMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-5-8-6(9)3-4-7(8)10/h2-5H2,1H3.
What are the key properties of 1-propylpyrrolidine-2,5-dione?
1-propylpyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 18983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).