5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol

C11H15NOS — CID 112546090

IUPAC5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol
SMILESOc1cc(C2CC2)sc1C1CCNC1
InChIInChI=1S/C11H15NOS/c13-9-5-10(7-1-2-7)14-11(9)8-3-4-12-6-8/h5,7-8,12-13H,1-4,6H2
InChIKeyHBEYZTTZFKSOON-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.41
Rot. Bonds2

About 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol

5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol (PubChem CID 112546090) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol.

Molecular Properties

Compound Name5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol
PubChem CID112546090
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol
SMILESOc1cc(C2CC2)sc1C1CCNC1
InChIInChI=1S/C11H15NOS/c13-9-5-10(7-1-2-7)14-11(9)8-3-4-12-6-8/h5,7-8,12-13H,1-4,6H2
InChIKeyHBEYZTTZFKSOON-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol?
The IUPAC name of 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol (CID 112546090) is 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol.
What is the SMILES notation for 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol?
The canonical SMILES for 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol is Oc1cc(C2CC2)sc1C1CCNC1.
What is the InChIKey of 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol?
The InChIKey is HBEYZTTZFKSOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-9-5-10(7-1-2-7)14-11(9)8-3-4-12-6-8/h5,7-8,12-13H,1-4,6H2.
What are the key properties of 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol?
5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol has a molecular weight of 209.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol is sourced from PubChem (CID 112546090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).