ethyl N-(1-thiophen-2-ylethenyl)carbamate

C9H11NO2S — CID 66909290

IUPACethyl N-(1-thiophen-2-ylethenyl)carbamate
SMILESC=C(NC(=O)OCC)c1cccs1
InChIInChI=1S/C9H11NO2S/c1-3-12-9(11)10-7(2)8-5-4-6-13-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyWKWLWQMBTCEHBT-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.46
Rot. Bonds3

About ethyl N-(1-thiophen-2-ylethenyl)carbamate

ethyl N-(1-thiophen-2-ylethenyl)carbamate (PubChem CID 66909290) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is ethyl N-(1-thiophen-2-ylethenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-thiophen-2-ylethenyl)carbamate
PubChem CID66909290
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameethyl N-(1-thiophen-2-ylethenyl)carbamate
SMILESC=C(NC(=O)OCC)c1cccs1
InChIInChI=1S/C9H11NO2S/c1-3-12-9(11)10-7(2)8-5-4-6-13-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyWKWLWQMBTCEHBT-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(1-thiophen-2-ylethenyl)carbamate 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 ethyl N-(1-thiophen-2-ylethenyl)carbamate?
The IUPAC name of ethyl N-(1-thiophen-2-ylethenyl)carbamate (CID 66909290) is ethyl N-(1-thiophen-2-ylethenyl)carbamate.
What is the SMILES notation for ethyl N-(1-thiophen-2-ylethenyl)carbamate?
The canonical SMILES for ethyl N-(1-thiophen-2-ylethenyl)carbamate is C=C(NC(=O)OCC)c1cccs1.
What is the InChIKey of ethyl N-(1-thiophen-2-ylethenyl)carbamate?
The InChIKey is WKWLWQMBTCEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-3-12-9(11)10-7(2)8-5-4-6-13-8/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of ethyl N-(1-thiophen-2-ylethenyl)carbamate?
ethyl N-(1-thiophen-2-ylethenyl)carbamate has a molecular weight of 197.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-thiophen-2-ylethenyl)carbamate is sourced from PubChem (CID 66909290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).