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

C18H18ClN — CID 70488986

IUPAC(10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESClc1ccc(C2Cc3ccccc3[C@@H]3CCCN23)cc1
InChIInChI=1S/C18H18ClN/c19-15-9-7-13(8-10-15)18-12-14-4-1-2-5-16(14)17-6-3-11-20(17)18/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18?/m0/s1
InChIKeySFMPQFJDPCEFLB-ZENAZSQFSA-N
MW283.80 g/mol
LogP4.77
Rot. Bonds1

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

(10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (PubChem CID 70488986) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name(10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
PubChem CID70488986
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name(10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESClc1ccc(C2Cc3ccccc3[C@@H]3CCCN23)cc1
InChIInChI=1S/C18H18ClN/c19-15-9-7-13(8-10-15)18-12-14-4-1-2-5-16(14)17-6-3-11-20(17)18/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18?/m0/s1
InChIKeySFMPQFJDPCEFLB-ZENAZSQFSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (CID 70488986) is (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is Clc1ccc(C2Cc3ccccc3[C@@H]3CCCN23)cc1.
What is the InChIKey of (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is SFMPQFJDPCEFLB-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H18ClN/c19-15-9-7-13(8-10-15)18-12-14-4-1-2-5-16(14)17-6-3-11-20(17)18/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18?/m0/s1.
What are the key properties of (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
(10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 283.80 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-5-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 70488986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).