1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione

C9H10N2O4 — CID 19793657

IUPAC1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESCN1C(=O)CCC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C5H7NO2.C4H3NO2/c1-6-4(7)2-3-5(6)8;6-3-1-2-4(7)5-3/h2-3H2,1H3;1-2H,(H,5,6,7)
InChIKeyKWRJOQJHZLQELM-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.04
Rot. Bonds

About 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione

1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione (PubChem CID 19793657) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
PubChem CID19793657
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESCN1C(=O)CCC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C5H7NO2.C4H3NO2/c1-6-4(7)2-3-5(6)8;6-3-1-2-4(7)5-3/h2-3H2,1H3;1-2H,(H,5,6,7)
InChIKeyKWRJOQJHZLQELM-UHFFFAOYSA-N
XLogP-1.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methylpyrrolidine-2,5-dione;pyrrole-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-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
The IUPAC name of 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione (CID 19793657) is 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione.
What is the SMILES notation for 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
The canonical SMILES for 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione is CN1C(=O)CCC1=O.O=C1C=CC(=O)N1.
What is the InChIKey of 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
The InChIKey is KWRJOQJHZLQELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C4H3NO2/c1-6-4(7)2-3-5(6)8;6-3-1-2-4(7)5-3/h2-3H2,1H3;1-2H,(H,5,6,7).
What are the key properties of 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione has a molecular weight of 210.19 g/mol, XLogP of -1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-2,5-dione;pyrrole-2,5-dione is sourced from PubChem (CID 19793657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).