(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride

C18H20ClN — CID 45263057

IUPAC(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
SMILESCl.c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1
InChIInChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17?,18-;/m0./s1
InChIKeyYXFYPWNHKYOINK-SZOUEMSFSA-N
MW285.82 g/mol
LogP4.39
Rot. Bonds1

About (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride

(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride (PubChem CID 45263057) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride.

Molecular Properties

Compound Name(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
PubChem CID45263057
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
SMILESCl.c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1
InChIInChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17?,18-;/m0./s1
InChIKeyYXFYPWNHKYOINK-SZOUEMSFSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride?
The IUPAC name of (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride (CID 45263057) is (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride.
What is the SMILES notation for (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride?
The canonical SMILES for (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride is Cl.c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1.
What is the InChIKey of (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride?
The InChIKey is YXFYPWNHKYOINK-SZOUEMSFSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17?,18-;/m0./s1.
What are the key properties of (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride?
(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride is sourced from PubChem (CID 45263057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).