(5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone

C11H15NOS — CID 1246054

IUPAC(5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1ccc(C(=O)N2CCCC2)s1
InChIInChI=1S/C11H15NOS/c1-2-9-5-6-10(14-9)11(13)12-7-3-4-8-12/h5-6H,2-4,7-8H2,1H3
InChIKeyBGYYXICJUQQPRA-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.55
Rot. Bonds2

About (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone

(5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 1246054) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID1246054
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1ccc(C(=O)N2CCCC2)s1
InChIInChI=1S/C11H15NOS/c1-2-9-5-6-10(14-9)11(13)12-7-3-4-8-12/h5-6H,2-4,7-8H2,1H3
InChIKeyBGYYXICJUQQPRA-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-ethylthiophen-2-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 (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone (CID 1246054) is (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone is CCc1ccc(C(=O)N2CCCC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BGYYXICJUQQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-9-5-6-10(14-9)11(13)12-7-3-4-8-12/h5-6H,2-4,7-8H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
(5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 209.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1246054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).