2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

C13H12N2O3 — CID 10060368

IUPAC2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCc1cccc2c1C(=O)N(C)C21CC(=O)NC1=O
InChIInChI=1S/C13H12N2O3/c1-7-4-3-5-8-10(7)11(17)15(2)13(8)6-9(16)14-12(13)18/h3-5H,6H2,1-2H3,(H,14,16,18)
InChIKeyQDVSIOCTFYAURL-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.32
Rot. Bonds

About 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10060368) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10060368
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCc1cccc2c1C(=O)N(C)C21CC(=O)NC1=O
InChIInChI=1S/C13H12N2O3/c1-7-4-3-5-8-10(7)11(17)15(2)13(8)6-9(16)14-12(13)18/h3-5H,6H2,1-2H3,(H,14,16,18)
InChIKeyQDVSIOCTFYAURL-UHFFFAOYSA-N
XLogP0.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.32
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 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10060368) is 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is Cc1cccc2c1C(=O)N(C)C21CC(=O)NC1=O.
What is the InChIKey of 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is QDVSIOCTFYAURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-7-4-3-5-8-10(7)11(17)15(2)13(8)6-9(16)14-12(13)18/h3-5H,6H2,1-2H3,(H,14,16,18).
What are the key properties of 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 244.25 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10060368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).