1-(2,3-dihydrothiophen-4-yl)pyrrolidine

C8H13NS — CID 15260768

IUPAC1-(2,3-dihydrothiophen-4-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCS1
InChIInChI=1S/C8H13NS/c1-2-5-9(4-1)8-3-6-10-7-8/h7H,1-6H2
InChIKeyQMFAHBWKHYJCLQ-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.06
Rot. Bonds1

About 1-(2,3-dihydrothiophen-4-yl)pyrrolidine

1-(2,3-dihydrothiophen-4-yl)pyrrolidine (PubChem CID 15260768) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-4-yl)pyrrolidine
PubChem CID15260768
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-(2,3-dihydrothiophen-4-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCS1
InChIInChI=1S/C8H13NS/c1-2-5-9(4-1)8-3-6-10-7-8/h7H,1-6H2
InChIKeyQMFAHBWKHYJCLQ-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydrothiophen-4-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-4-yl)pyrrolidine?
The IUPAC name of 1-(2,3-dihydrothiophen-4-yl)pyrrolidine (CID 15260768) is 1-(2,3-dihydrothiophen-4-yl)pyrrolidine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-4-yl)pyrrolidine?
The canonical SMILES for 1-(2,3-dihydrothiophen-4-yl)pyrrolidine is C1=C(N2CCCC2)CCS1.
What is the InChIKey of 1-(2,3-dihydrothiophen-4-yl)pyrrolidine?
The InChIKey is QMFAHBWKHYJCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-5-9(4-1)8-3-6-10-7-8/h7H,1-6H2.
What are the key properties of 1-(2,3-dihydrothiophen-4-yl)pyrrolidine?
1-(2,3-dihydrothiophen-4-yl)pyrrolidine has a molecular weight of 155.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-4-yl)pyrrolidine is sourced from PubChem (CID 15260768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).