(10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide

C19H22BrNO — CID 45265522

IUPAC(10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
SMILESBr.COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1
InChIInChI=1S/C19H21NO.BrH/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1H/t18?,19-;/m0./s1
InChIKeyRZBWEABVSPBQMN-DSJAQNLYSA-N
MW360.30 g/mol
LogP4.56
Rot. Bonds2

About (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide

(10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide (PubChem CID 45265522) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide.

Molecular Properties

Compound Name(10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
PubChem CID45265522
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC Name(10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
SMILESBr.COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1
InChIInChI=1S/C19H21NO.BrH/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1H/t18?,19-;/m0./s1
InChIKeyRZBWEABVSPBQMN-DSJAQNLYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
The IUPAC name of (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide (CID 45265522) is (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide.
What is the SMILES notation for (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
The canonical SMILES for (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide is Br.COc1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1.
What is the InChIKey of (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
The InChIKey is RZBWEABVSPBQMN-DSJAQNLYSA-N. The full InChI is InChI=1S/C19H21NO.BrH/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1H/t18?,19-;/m0./s1.
What are the key properties of (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide?
(10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide has a molecular weight of 360.30 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-6-(4-methoxyphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide is sourced from PubChem (CID 45265522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).