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

C12H10N2O3 — CID 10263234

IUPAC2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2ccccc2C12CC(=O)NC2=O
InChIInChI=1S/C12H10N2O3/c1-14-10(16)7-4-2-3-5-8(7)12(14)6-9(15)13-11(12)17/h2-5H,6H2,1H3,(H,13,15,17)
InChIKeySORUAESFPBVWDQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.01
Rot. Bonds

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

2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10263234) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10263234
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2ccccc2C12CC(=O)NC2=O
InChIInChI=1S/C12H10N2O3/c1-14-10(16)7-4-2-3-5-8(7)12(14)6-9(15)13-11(12)17/h2-5H,6H2,1H3,(H,13,15,17)
InChIKeySORUAESFPBVWDQ-UHFFFAOYSA-N
XLogP0.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.01
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-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10263234) is 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is CN1C(=O)c2ccccc2C12CC(=O)NC2=O.
What is the InChIKey of 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is SORUAESFPBVWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-14-10(16)7-4-2-3-5-8(7)12(14)6-9(15)13-11(12)17/h2-5H,6H2,1H3,(H,13,15,17).
What are the key properties of 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 230.22 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10263234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).