3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine

C11H15NS — CID 82605512

IUPAC3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine
SMILESc1c(C2CCNC2)sc2c1CCC2
InChIInChI=1S/C11H15NS/c1-2-8-6-11(13-10(8)3-1)9-4-5-12-7-9/h6,9,12H,1-5,7H2
InChIKeyVTWSJIQHNCDBCD-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.31
Rot. Bonds1

About 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine

3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine (PubChem CID 82605512) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine
PubChem CID82605512
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine
SMILESc1c(C2CCNC2)sc2c1CCC2
InChIInChI=1S/C11H15NS/c1-2-8-6-11(13-10(8)3-1)9-4-5-12-7-9/h6,9,12H,1-5,7H2
InChIKeyVTWSJIQHNCDBCD-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine (CID 82605512) is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine is c1c(C2CCNC2)sc2c1CCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine?
The InChIKey is VTWSJIQHNCDBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-8-6-11(13-10(8)3-1)9-4-5-12-7-9/h6,9,12H,1-5,7H2.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine?
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine has a molecular weight of 193.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine is sourced from PubChem (CID 82605512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).