2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine

C12H17NS — CID 104703801

IUPAC2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine
SMILESCCc1ccc(/C=C/C2CCCN2)s1
InChIInChI=1S/C12H17NS/c1-2-11-7-8-12(14-11)6-5-10-4-3-9-13-10/h5-8,10,13H,2-4,9H2,1H3/b6-5+
InChIKeyCFVNTXRGOKMOBO-AATRIKPKSA-N
MW207.34 g/mol
LogP3.08
Rot. Bonds3

About 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine

2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine (PubChem CID 104703801) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine
PubChem CID104703801
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine
SMILESCCc1ccc(/C=C/C2CCCN2)s1
InChIInChI=1S/C12H17NS/c1-2-11-7-8-12(14-11)6-5-10-4-3-9-13-10/h5-8,10,13H,2-4,9H2,1H3/b6-5+
InChIKeyCFVNTXRGOKMOBO-AATRIKPKSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine
CID 104703779
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole
CID 57358428
(4Z)-4-[(5-ethylthiophen-2-yl)methylidene]azepane
CID 103983615
2-[(Z)-pent-1-enyl]pyrrolidine
CID 55300671
N-[(5-ethylthiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598928
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
3-(5-ethylthiophen-2-yl)-1,4-thiazepane
CID 66219256
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine?
The IUPAC name of 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine (CID 104703801) is 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine?
The canonical SMILES for 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine is CCc1ccc(/C=C/C2CCCN2)s1.
What is the InChIKey of 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine?
The InChIKey is CFVNTXRGOKMOBO-AATRIKPKSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-11-7-8-12(14-11)6-5-10-4-3-9-13-10/h5-8,10,13H,2-4,9H2,1H3/b6-5+.
What are the key properties of 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine?
2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 104703801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).