3-thiophen-2-ylpyrrolidin-3-ol

C8H11NOS — CID 3051401

IUPAC3-thiophen-2-ylpyrrolidin-3-ol
SMILESOC1(c2cccs2)CCNC1
InChIInChI=1S/C8H11NOS/c10-8(3-4-9-6-8)7-2-1-5-11-7/h1-2,5,9-10H,3-4,6H2
InChIKeyYTJKEGCTGJSZCE-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.93
Rot. Bonds1

About 3-thiophen-2-ylpyrrolidin-3-ol

3-thiophen-2-ylpyrrolidin-3-ol (PubChem CID 3051401) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-thiophen-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-thiophen-2-ylpyrrolidin-3-ol
PubChem CID3051401
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-thiophen-2-ylpyrrolidin-3-ol
SMILESOC1(c2cccs2)CCNC1
InChIInChI=1S/C8H11NOS/c10-8(3-4-9-6-8)7-2-1-5-11-7/h1-2,5,9-10H,3-4,6H2
InChIKeyYTJKEGCTGJSZCE-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.93
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?
The IUPAC name of 3-thiophen-2-ylpyrrolidin-3-ol (CID 3051401) is 3-thiophen-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 3-thiophen-2-ylpyrrolidin-3-ol?
The canonical SMILES for 3-thiophen-2-ylpyrrolidin-3-ol is OC1(c2cccs2)CCNC1.
What is the InChIKey of 3-thiophen-2-ylpyrrolidin-3-ol?
The InChIKey is YTJKEGCTGJSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c10-8(3-4-9-6-8)7-2-1-5-11-7/h1-2,5,9-10H,3-4,6H2.
What are the key properties of 3-thiophen-2-ylpyrrolidin-3-ol?
3-thiophen-2-ylpyrrolidin-3-ol has a molecular weight of 169.25 g/mol, XLogP of 0.93, 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 is sourced from PubChem (CID 3051401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).