7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,5,5a,6,6a,8,9,10a-octahydro-7-propyl-, (+-)-, (5a-RS(5a-alpha,6a-beta,10a-alpha))-

HCID 55199

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Basic information

CAS: 84132-03-6
Standard SMILES: CCCN1CCO[C@H]2c3cccc4c3[C@@H](CN4)C[C@@H]21
InChIKey: OXOXQLCRBAXCQT-WPGHFRTFSA-N
Molecular formula: C16H22N2O
Average molar mass: 258.36 g/mol
Monoisotopic mass: 258.17321333

Names & identifiers

Preferred name: 7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,5,5a,6,6a,8,9,10a-octahydro-7-propyl-, (+-)-, (5a-RS(5a-alpha,6a-beta,10a-alpha))-
IUPAC: (2S,7S,9S)-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),12,14-triene

Names & synonyms

BRN 68683817H-Indolo(3,4-gh)(1,4)benzoxazine, 4,5,5a,6,6a,8,9,10a-octahydro-7-propyl-, (+-)-, (5a-RS(5a-alpha,6a-beta,10a-alpha))-84132-03-6DTXSID10233009RefChem:311407DTXCID60155500(5aS,6aS,10aS)-7-Propyl-4,5,5a,6a,7,8,9,10a-octahydro-6H-indolo[3,4-gh][1,4]benzoxazine

Database identifiers

CAS: 84132-03-6
PubChem CID: 55199
DTXSID: DTXSID10233009

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 24.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 335

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