2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

C13H12N2O3 — CID 10399560

IUPAC2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCCN1C(=O)c2ccccc2C12CC(=O)NC2=O
InChIInChI=1S/C13H12N2O3/c1-2-15-11(17)8-5-3-4-6-9(8)13(15)7-10(16)14-12(13)18/h3-6H,2,7H2,1H3,(H,14,16,18)
InChIKeyMNGDSRTUYBWZMW-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.40
Rot. Bonds1

About 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10399560) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10399560
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCCN1C(=O)c2ccccc2C12CC(=O)NC2=O
InChIInChI=1S/C13H12N2O3/c1-2-15-11(17)8-5-3-4-6-9(8)13(15)7-10(16)14-12(13)18/h3-6H,2,7H2,1H3,(H,14,16,18)
InChIKeyMNGDSRTUYBWZMW-UHFFFAOYSA-N
XLogP0.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10399560) is 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is CCN1C(=O)c2ccccc2C12CC(=O)NC2=O.
What is the InChIKey of 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is MNGDSRTUYBWZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-15-11(17)8-5-3-4-6-9(8)13(15)7-10(16)14-12(13)18/h3-6H,2,7H2,1H3,(H,14,16,18).
What are the key properties of 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 244.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10399560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).