prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate

C10H10O2S — CID 70522239

IUPACprop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESC=CCOC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H10O2S/c1-2-7-12-10(11)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2/b6-5+
InChIKeyFMSVRBCQVWWHSV-AATRIKPKSA-N
MW194.25 g/mol
LogP2.49
Rot. Bonds4

About prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate

prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 70522239) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID70522239
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Nameprop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESC=CCOC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H10O2S/c1-2-7-12-10(11)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2/b6-5+
InChIKeyFMSVRBCQVWWHSV-AATRIKPKSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate 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 prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate (CID 70522239) is prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate is C=CCOC(=O)/C=C/c1cccs1.
What is the InChIKey of prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is FMSVRBCQVWWHSV-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10O2S/c1-2-7-12-10(11)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2/b6-5+.
What are the key properties of prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate?
prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 194.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 70522239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).