3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride

C8H12ClNOS — CID 3051400

IUPAC3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2cccs2)CCNC1
InChIInChI=1S/C8H11NOS.ClH/c10-8(3-4-9-6-8)7-2-1-5-11-7;/h1-2,5,9-10H,3-4,6H2;1H
InChIKeyOODWGZUYMOAOFR-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.35
Rot. Bonds1

About 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride

3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051400) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride
PubChem CID3051400
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2cccs2)CCNC1
InChIInChI=1S/C8H11NOS.ClH/c10-8(3-4-9-6-8)7-2-1-5-11-7;/h1-2,5,9-10H,3-4,6H2;1H
InChIKeyOODWGZUYMOAOFR-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride (CID 3051400) is 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride is Cl.OC1(c2cccs2)CCNC1.
What is the InChIKey of 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride?
The InChIKey is OODWGZUYMOAOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS.ClH/c10-8(3-4-9-6-8)7-2-1-5-11-7;/h1-2,5,9-10H,3-4,6H2;1H.
What are the key properties of 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride?
3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).