3a,4,7,7a-Tetrahydro-2-[3-(1H-indol-3-yl)propyl]-1H-isoindole-1,3(2H)-dione

HCID 3714701

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Basic information

CAS: 57117-45-0
Standard SMILES: O=C1C2CC=CCC2C(=O)N1CCCc1c[nH]c2ccccc12
InChIKey: GPWZNAGGPATAOO-UHFFFAOYSA-N
Molecular formula: C19H20N2O2
Average molar mass: 308.4 g/mol
Monoisotopic mass: 308.15247789

Names & identifiers

Preferred name: 3a,4,7,7a-Tetrahydro-2-[3-(1H-indol-3-yl)propyl]-1H-isoindole-1,3(2H)-dione
IUPAC: 2-[3-(1H-indol-3-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Names & synonyms

DTXSID5011439113a,4,7,7a-Tetrahydro-2-[3-(1H-indol-3-yl)propyl]-1H-isoindole-1,3(2H)-dione57117-45-02-[3-(1H-Indol-3-yl)propyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS: 57117-45-0
PubChem CID: 3714701
DTXSID: DTXSID501143911

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 53.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 489

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