6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one

C18H16BrNO — CID 22116897

IUPAC6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
SMILESO=C1C(c2ccc(Br)cc2)c2ccccc2C2CCCN12
InChIInChI=1S/C18H16BrNO/c19-13-9-7-12(8-10-13)17-15-5-2-1-4-14(15)16-6-3-11-20(16)18(17)21/h1-2,4-5,7-10,16-17H,3,6,11H2
InChIKeyJGBZMMJOSZUSOU-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.26
Rot. Bonds1

About 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one

6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one (PubChem CID 22116897) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
PubChem CID22116897
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
SMILESO=C1C(c2ccc(Br)cc2)c2ccccc2C2CCCN12
InChIInChI=1S/C18H16BrNO/c19-13-9-7-12(8-10-13)17-15-5-2-1-4-14(15)16-6-3-11-20(16)18(17)21/h1-2,4-5,7-10,16-17H,3,6,11H2
InChIKeyJGBZMMJOSZUSOU-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
The IUPAC name of 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one (CID 22116897) is 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one.
What is the SMILES notation for 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
The canonical SMILES for 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one is O=C1C(c2ccc(Br)cc2)c2ccccc2C2CCCN12.
What is the InChIKey of 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
The InChIKey is JGBZMMJOSZUSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-13-9-7-12(8-10-13)17-15-5-2-1-4-14(15)16-6-3-11-20(16)18(17)21/h1-2,4-5,7-10,16-17H,3,6,11H2.
What are the key properties of 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one has a molecular weight of 342.24 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one is sourced from PubChem (CID 22116897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).