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

C12H9ClN2O3 — CID 10106886

IUPAC4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2cccc(Cl)c2C12CC(=O)NC2=O
InChIInChI=1S/C12H9ClN2O3/c1-15-10(17)6-3-2-4-7(13)9(6)12(15)5-8(16)14-11(12)18/h2-4H,5H2,1H3,(H,14,16,18)
InChIKeyPFRKNQAPYFIBRC-UHFFFAOYSA-N
MW264.67 g/mol
LogP0.67
Rot. Bonds

About 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10106886) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10106886
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2cccc(Cl)c2C12CC(=O)NC2=O
InChIInChI=1S/C12H9ClN2O3/c1-15-10(17)6-3-2-4-7(13)9(6)12(15)5-8(16)14-11(12)18/h2-4H,5H2,1H3,(H,14,16,18)
InChIKeyPFRKNQAPYFIBRC-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 50.67
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 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10106886) is 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is CN1C(=O)c2cccc(Cl)c2C12CC(=O)NC2=O.
What is the InChIKey of 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is PFRKNQAPYFIBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-15-10(17)6-3-2-4-7(13)9(6)12(15)5-8(16)14-11(12)18/h2-4H,5H2,1H3,(H,14,16,18).
What are the key properties of 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 264.67 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10106886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).