1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-(1-pyrrolidinyl)ethoxy)cyclohexyl)-
Basic information
- CAS
61356-06-7- Standard SMILES
O=C1C2CC=CCC2C(=O)N1C1CCC(OCCN2CCCC2)CC1- InChIKey
WLCZANLEZKJABS-UHFFFAOYSA-N- Molecular formula
- C20H30N2O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.22564282
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-(1-pyrrolidinyl)ethoxy)cyclohexyl)-
- IUPAC
- 2-[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
61356-06-73a,4,7,7a-Tetrahydro-2-(4-(2-(1-pyrrolidinyl)ethoxy)cyclohexyl)-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-(1-pyrrolidinyl)ethoxy)cyclohexyl)-RefChem:239342DTXSID909768812-{4-[2-(pyrrolidin-1-yl)ethoxy]cyclohexyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
61356-06-7- PubChem CID
- 43613
- DTXSID
DTXSID90976881
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
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Related reactions
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Compound notes
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