3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole

C8H11NS — CID 123333734

IUPAC3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole
SMILESCCc1csc2c1CNC2
InChIInChI=1S/C8H11NS/c1-2-6-5-10-8-4-9-3-7(6)8/h5,9H,2-4H2,1H3
InChIKeyIJTLDKJHZVHHHW-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.91
Rot. Bonds1

About 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole

3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole (PubChem CID 123333734) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole
PubChem CID123333734
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole
SMILESCCc1csc2c1CNC2
InChIInChI=1S/C8H11NS/c1-2-6-5-10-8-4-9-3-7(6)8/h5,9H,2-4H2,1H3
InChIKeyIJTLDKJHZVHHHW-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole?
The IUPAC name of 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole (CID 123333734) is 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole.
What is the SMILES notation for 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole?
The canonical SMILES for 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole is CCc1csc2c1CNC2.
What is the InChIKey of 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole?
The InChIKey is IJTLDKJHZVHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-6-5-10-8-4-9-3-7(6)8/h5,9H,2-4H2,1H3.
What are the key properties of 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole?
3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole has a molecular weight of 153.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole is sourced from PubChem (CID 123333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).