3-thiophen-3-ylpyrrolidine;hydrochloride

C8H12ClNS — CID 169498224

IUPAC3-thiophen-3-ylpyrrolidine;hydrochloride
SMILESCl.c1cc(C2CCNC2)cs1
InChIInChI=1S/C8H11NS.ClH/c1-3-9-5-7(1)8-2-4-10-6-8;/h2,4,6-7,9H,1,3,5H2;1H
InChIKeyYMJPLXCEHMJJNN-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.25
Rot. Bonds1

About 3-thiophen-3-ylpyrrolidine;hydrochloride

3-thiophen-3-ylpyrrolidine;hydrochloride (PubChem CID 169498224) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 3-thiophen-3-ylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-thiophen-3-ylpyrrolidine;hydrochloride
PubChem CID169498224
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name3-thiophen-3-ylpyrrolidine;hydrochloride
SMILESCl.c1cc(C2CCNC2)cs1
InChIInChI=1S/C8H11NS.ClH/c1-3-9-5-7(1)8-2-4-10-6-8;/h2,4,6-7,9H,1,3,5H2;1H
InChIKeyYMJPLXCEHMJJNN-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpyrrolidine;hydrochloride?
The IUPAC name of 3-thiophen-3-ylpyrrolidine;hydrochloride (CID 169498224) is 3-thiophen-3-ylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-thiophen-3-ylpyrrolidine;hydrochloride?
The canonical SMILES for 3-thiophen-3-ylpyrrolidine;hydrochloride is Cl.c1cc(C2CCNC2)cs1.
What is the InChIKey of 3-thiophen-3-ylpyrrolidine;hydrochloride?
The InChIKey is YMJPLXCEHMJJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-3-9-5-7(1)8-2-4-10-6-8;/h2,4,6-7,9H,1,3,5H2;1H.
What are the key properties of 3-thiophen-3-ylpyrrolidine;hydrochloride?
3-thiophen-3-ylpyrrolidine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpyrrolidine;hydrochloride is sourced from PubChem (CID 169498224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).