109210-52-8
1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
Molecular Identity
109210-52-8
1-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
PubChem CID: 163797
2D Structure
Properties
C13H16N2O3
Molecular Formula
248.28
Molecular Weight
g/mol
248.1161
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
61.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
362
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
109210-52-8CHMI1-Acetyl-1,2,3,3a,8,8a-hexahydro-8a-hydroxy-5-methoxypyrrolo(2,3-b)indoleCyclic 2-hydroxymelatoninRefChem:748071-(3a-hydroxy-7-methoxy-1,2,4,8b-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanonePyrrolo(2,3-b)indol-8a(1H)-ol, 1-acetyl-2,3,3a,8-tetrahydro-5-methoxy-1-(8A-hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethanoneCyclic 2-hydroxymelatonin isomerCyclic 3-hydroxymelatonin isomerSCHEMBL29371553DTXSID909110301-{8A-HYDROXY-5-METHOXY-1H,2H,3H,3AH,8H,8AH-PYRROLO[2,3-B]INDOL-1-YL}ETHAN-1-ONE1-(8a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethan-1-one
Data from PubChem (NCBI)
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