1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole

C16H13NS — CID 81146996

IUPAC1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2c1cccc2ccsc12
InChIInChI=1S/C16H13NS/c1-2-6-13-12(4-1)10-17-15(13)14-7-3-5-11-8-9-18-16(11)14/h1-9,15,17H,10H2
InChIKeyWIGJIOLZCXXTLO-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.09
Rot. Bonds1

About 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole

1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole (PubChem CID 81146996) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole
PubChem CID81146996
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2c1cccc2ccsc12
InChIInChI=1S/C16H13NS/c1-2-6-13-12(4-1)10-17-15(13)14-7-3-5-11-8-9-18-16(11)14/h1-9,15,17H,10H2
InChIKeyWIGJIOLZCXXTLO-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole (CID 81146996) is 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole?
The InChIKey is WIGJIOLZCXXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-2-6-13-12(4-1)10-17-15(13)14-7-3-5-11-8-9-18-16(11)14/h1-9,15,17H,10H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole?
1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole has a molecular weight of 251.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 81146996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).