(2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone

C11H15NOS — CID 39969355

IUPAC(2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C11H15NOS/c1-8-7-10(9(2)14-8)11(13)12-5-3-4-6-12/h7H,3-6H2,1-2H3
InChIKeyCHYFPAUQMDXQME-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.60
Rot. Bonds1

About (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone

(2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 39969355) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID39969355
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)c(C)s1
InChIInChI=1S/C11H15NOS/c1-8-7-10(9(2)14-8)11(13)12-5-3-4-6-12/h7H,3-6H2,1-2H3
InChIKeyCHYFPAUQMDXQME-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone 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 (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone (CID 39969355) is (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is CHYFPAUQMDXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-7-10(9(2)14-8)11(13)12-5-3-4-6-12/h7H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
(2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 209.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 39969355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).