propane;pyrrolidine-2,5-dione

C7H13NO2 — CID 69030621

IUPACpropane;pyrrolidine-2,5-dione
SMILESCCC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H8/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);3H2,1-2H3
InChIKeySSEPASGCLYWYBF-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.84
Rot. Bonds

About propane;pyrrolidine-2,5-dione

propane;pyrrolidine-2,5-dione (PubChem CID 69030621) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is propane;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namepropane;pyrrolidine-2,5-dione
PubChem CID69030621
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepropane;pyrrolidine-2,5-dione
SMILESCCC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H8/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);3H2,1-2H3
InChIKeySSEPASGCLYWYBF-UHFFFAOYSA-N
XLogP0.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propane;pyrrolidine-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 propane;pyrrolidine-2,5-dione?
The IUPAC name of propane;pyrrolidine-2,5-dione (CID 69030621) is propane;pyrrolidine-2,5-dione.
What is the SMILES notation for propane;pyrrolidine-2,5-dione?
The canonical SMILES for propane;pyrrolidine-2,5-dione is CCC.O=C1CCC(=O)N1.
What is the InChIKey of propane;pyrrolidine-2,5-dione?
The InChIKey is SSEPASGCLYWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H8/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);3H2,1-2H3.
What are the key properties of propane;pyrrolidine-2,5-dione?
propane;pyrrolidine-2,5-dione has a molecular weight of 143.19 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;pyrrolidine-2,5-dione is sourced from PubChem (CID 69030621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).