2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione

Substructure search Find similar structures

Basic information

CAS: 76367-87-8
Standard SMILES: CC(C)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIKey: WPOSFFMDOIEMQF-UHFFFAOYSA-N
Molecular formula: C15H17NO3
Average molar mass: 259.3 g/mol
Monoisotopic mass: 259.1208434

Names & identifiers

Preferred name: 2-(5-Methyl-4-oxohexyl)isoindole-1,3-dione
IUPAC: 2-(5-methyl-4-oxohexyl)isoindole-1,3-dione

Names & synonyms

2-(5-methyl-4-oxohexyl)isoindole-1,3-dione76367-87-8DTXSID20315547RefChem:252951DTXCID10266670NSC295388WPOSFFMDOIEMQF-UHFFFAOYSA-N2-Methyl-6-phthalimido-hexan-3-oneNSC-2953882-(5-Methyl-4-oxohexyl)-1H-isoindole-1,3(2H)-dione2-(5-Methyl-4-oxohexyl)-1H-isoindole-1,3(2H)-dione #

Database identifiers

CAS: 76367-87-8
PubChem CID: 325838
DTXSID: DTXSID20315547

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 365

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…