6-methyl-4,5-dihydrothieno[2,3-b]pyrrole

C7H9NS — CID 59129717

IUPAC6-methyl-4,5-dihydrothieno[2,3-b]pyrrole
SMILESCN1CCc2ccsc21
InChIInChI=1S/C7H9NS/c1-8-4-2-6-3-5-9-7(6)8/h3,5H,2,4H2,1H3
InChIKeyUOLUSQUBNQBIMT-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.74
Rot. Bonds

About 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole

6-methyl-4,5-dihydrothieno[2,3-b]pyrrole (PubChem CID 59129717) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole.

Molecular Properties

Compound Name6-methyl-4,5-dihydrothieno[2,3-b]pyrrole
PubChem CID59129717
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name6-methyl-4,5-dihydrothieno[2,3-b]pyrrole
SMILESCN1CCc2ccsc21
InChIInChI=1S/C7H9NS/c1-8-4-2-6-3-5-9-7(6)8/h3,5H,2,4H2,1H3
InChIKeyUOLUSQUBNQBIMT-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole?
The IUPAC name of 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole (CID 59129717) is 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole.
What is the SMILES notation for 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole?
The canonical SMILES for 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole is CN1CCc2ccsc21.
What is the InChIKey of 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole?
The InChIKey is UOLUSQUBNQBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-8-4-2-6-3-5-9-7(6)8/h3,5H,2,4H2,1H3.
What are the key properties of 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole?
6-methyl-4,5-dihydrothieno[2,3-b]pyrrole has a molecular weight of 139.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-dihydrothieno[2,3-b]pyrrole is sourced from PubChem (CID 59129717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).