5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

C12H8Cl2N2O3 — CID 11779471

IUPAC5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2cc(Cl)c(Cl)cc2C12CC(=O)NC2=O
InChIInChI=1S/C12H8Cl2N2O3/c1-16-10(18)5-2-7(13)8(14)3-6(5)12(16)4-9(17)15-11(12)19/h2-3H,4H2,1H3,(H,15,17,19)
InChIKeyRVWCULHKXWNBNH-UHFFFAOYSA-N
MW299.11 g/mol
LogP1.32
Rot. Bonds

About 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 11779471) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID11779471
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCN1C(=O)c2cc(Cl)c(Cl)cc2C12CC(=O)NC2=O
InChIInChI=1S/C12H8Cl2N2O3/c1-16-10(18)5-2-7(13)8(14)3-6(5)12(16)4-9(17)15-11(12)19/h2-3H,4H2,1H3,(H,15,17,19)
InChIKeyRVWCULHKXWNBNH-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Chloro-1-oxo-2-isoindolinyl)piperidine-2,6-dione
CID 71517906
5-Chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 14696602
3-(5-Chloro-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CID 71517905
3-(3,4-Dichloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionamide
CID 9907022
6-Chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10038466
6,7-Dichloro-2-methylspiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 9973687
2-[(3,4-Dichlorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 9999507
4-Chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10106886
2-Methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10263234
2-Ethylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10399560
7-Chloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10422951
5,6-Dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 10426561

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 11779471) is 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is CN1C(=O)c2cc(Cl)c(Cl)cc2C12CC(=O)NC2=O.
What is the InChIKey of 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is RVWCULHKXWNBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-16-10(18)5-2-7(13)8(14)3-6(5)12(16)4-9(17)15-11(12)19/h2-3H,4H2,1H3,(H,15,17,19).
What are the key properties of 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 299.11 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 11779471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).