1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone

C12H13NOS — CID 79106807

IUPAC1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CCc1cccs1
InChIInChI=1S/C12H13NOS/c1-10(14)12-5-2-7-13(12)8-6-11-4-3-9-15-11/h2-5,7,9H,6,8H2,1H3
InChIKeyPCLGJPYVZMLKPR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.99
Rot. Bonds4

About 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone

1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone (PubChem CID 79106807) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
PubChem CID79106807
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CCc1cccs1
InChIInChI=1S/C12H13NOS/c1-10(14)12-5-2-7-13(12)8-6-11-4-3-9-15-11/h2-5,7,9H,6,8H2,1H3
InChIKeyPCLGJPYVZMLKPR-UHFFFAOYSA-N
XLogP2.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone 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

1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
1-[1-(4-phenylbutyl)pyrrol-2-yl]ethanone
CID 114334265
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
1-[1-(3-hydroxy-3-methylbutyl)pyrrol-2-yl]ethanone
CID 79355820
methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
1-[1-(4-methylpentyl)pyrrol-2-yl]ethanone
CID 83157804
1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
CID 63775889
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]ethanone
CID 79106811
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007
2-(2-acetylpyrrol-1-yl)acetonitrile
CID 79106170
2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 62402551

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone (CID 79106807) is 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1CCc1cccs1.
What is the InChIKey of 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone?
The InChIKey is PCLGJPYVZMLKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-10(14)12-5-2-7-13(12)8-6-11-4-3-9-15-11/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone?
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone has a molecular weight of 219.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 79106807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).