3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole

C16H13NS — CID 155668339

IUPAC3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole
SMILESc1csc(-c2c[nH]c3c2CCc2ccccc2-3)c1
InChIInChI=1S/C16H13NS/c1-2-5-12-11(4-1)7-8-13-14(10-17-16(12)13)15-6-3-9-18-15/h1-6,9-10,17H,7-8H2
InChIKeyJUCYAMMJZDIXTH-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.51
Rot. Bonds1

About 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole

3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole (PubChem CID 155668339) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole.

Molecular Properties

Compound Name3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole
PubChem CID155668339
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole
SMILESc1csc(-c2c[nH]c3c2CCc2ccccc2-3)c1
InChIInChI=1S/C16H13NS/c1-2-5-12-11(4-1)7-8-13-14(10-17-16(12)13)15-6-3-9-18-15/h1-6,9-10,17H,7-8H2
InChIKeyJUCYAMMJZDIXTH-UHFFFAOYSA-N
XLogP4.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole?
The IUPAC name of 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole (CID 155668339) is 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole.
What is the SMILES notation for 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole?
The canonical SMILES for 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole is c1csc(-c2c[nH]c3c2CCc2ccccc2-3)c1.
What is the InChIKey of 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole?
The InChIKey is JUCYAMMJZDIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-2-5-12-11(4-1)7-8-13-14(10-17-16(12)13)15-6-3-9-18-15/h1-6,9-10,17H,7-8H2.
What are the key properties of 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole?
3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole has a molecular weight of 251.35 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole is sourced from PubChem (CID 155668339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).