1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine

C12H11NS — CID 122387474

IUPAC1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESc1csc(-c2nccc3c2CCC3)c1
InChIInChI=1S/C12H11NS/c1-3-9-6-7-13-12(10(9)4-1)11-5-2-8-14-11/h2,5-8H,1,3-4H2
InChIKeyICRWHEZSCYNCKX-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.30
Rot. Bonds1

About 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine

1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 122387474) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID122387474
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESc1csc(-c2nccc3c2CCC3)c1
InChIInChI=1S/C12H11NS/c1-3-9-6-7-13-12(10(9)4-1)11-5-2-8-14-11/h2,5-8H,1,3-4H2
InChIKeyICRWHEZSCYNCKX-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 122387474) is 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine is c1csc(-c2nccc3c2CCC3)c1.
What is the InChIKey of 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is ICRWHEZSCYNCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-3-9-6-7-13-12(10(9)4-1)11-5-2-8-14-11/h2,5-8H,1,3-4H2.
What are the key properties of 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine?
1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 201.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 122387474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).