2-thiophen-3-ylpyrrolidine

C8H11NS — CID 3988672

IUPAC2-thiophen-3-ylpyrrolidine
SMILESc1cc(C2CCCN2)cs1
InChIInChI=1S/C8H11NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2
InChIKeyXXZBVULUYZUNDS-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.17
Rot. Bonds1

About 2-thiophen-3-ylpyrrolidine

2-thiophen-3-ylpyrrolidine (PubChem CID 3988672) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name2-thiophen-3-ylpyrrolidine
PubChem CID3988672
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-thiophen-3-ylpyrrolidine
SMILESc1cc(C2CCCN2)cs1
InChIInChI=1S/C8H11NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2
InChIKeyXXZBVULUYZUNDS-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpyrrolidine?
The IUPAC name of 2-thiophen-3-ylpyrrolidine (CID 3988672) is 2-thiophen-3-ylpyrrolidine.
What is the SMILES notation for 2-thiophen-3-ylpyrrolidine?
The canonical SMILES for 2-thiophen-3-ylpyrrolidine is c1cc(C2CCCN2)cs1.
What is the InChIKey of 2-thiophen-3-ylpyrrolidine?
The InChIKey is XXZBVULUYZUNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2.
What are the key properties of 2-thiophen-3-ylpyrrolidine?
2-thiophen-3-ylpyrrolidine has a molecular weight of 153.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 3988672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).