Basic information
- CAS
22931-53-9- Standard SMILES
O=C1CCC2C(=O)N(Cc3ccccc3)C(=O)C2C1- InChIKey
QVGBOFYZGZBPSE-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
- IUPAC
- 2-benzyl-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
- English name
- 2-Benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
22931-53-92-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trioneDTXSID80386394RefChem:256636DTXCID703374162-Benzyltetrahydro-1H-isoindole-1,3,5(2H,6H)-trione2-benzyl-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione2-benzyl-octahydro-1H-isoindole-1,3,5-trioneSCHEMBL8147581QVGBOFYZGZBPSE-UHFFFAOYSA-N1H-Isoindole-1,3,5(2H,4H)-trione,tetrahydro-2-(phenylmethyl)-STK834299
Show more names
1H-Isoindole-1,3,5(2H,4H)-trione, tetrahydro-2-(phenylmethyl)-2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione(SALTDATA: FREE)
AKOS001652828AKOS022004686CCG-112919CS-0269956N-benzyl-4-oxocyclohexane-1,2-dicarboximideST50228405EN300-27656AB00093391-01
Database identifiers
- CAS
22931-53-9- PubChem CID
- 2861804
- DTXSID
DTXSID80386394
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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