1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione

C11H14N2O2 — CID 45094834

IUPAC1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2cccn2C)C1=O
InChIInChI=1S/C11H14N2O2/c1-3-13-10(14)7-8(11(13)15)9-5-4-6-12(9)2/h4-6,8H,3,7H2,1-2H3
InChIKeyHCBDPUNPKWPOHK-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.89
Rot. Bonds2

About 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione

1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione (PubChem CID 45094834) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione
PubChem CID45094834
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2cccn2C)C1=O
InChIInChI=1S/C11H14N2O2/c1-3-13-10(14)7-8(11(13)15)9-5-4-6-12(9)2/h4-6,8H,3,7H2,1-2H3
InChIKeyHCBDPUNPKWPOHK-UHFFFAOYSA-N
XLogP0.89
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(1-methylpyrrol-2-yl)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 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione (CID 45094834) is 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione is CCN1C(=O)CC(c2cccn2C)C1=O.
What is the InChIKey of 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is HCBDPUNPKWPOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-13-10(14)7-8(11(13)15)9-5-4-6-12(9)2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione?
1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 206.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45094834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).