prop-2-enyl 2-thiophen-2-ylacetate

C9H10O2S — CID 566080

IUPACprop-2-enyl 2-thiophen-2-ylacetate
SMILESC=CCOC(=O)Cc1cccs1
InChIInChI=1S/C9H10O2S/c1-2-5-11-9(10)7-8-4-3-6-12-8/h2-4,6H,1,5,7H2
InChIKeyVGOKREPYVUZCPQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.02
Rot. Bonds4

About prop-2-enyl 2-thiophen-2-ylacetate

prop-2-enyl 2-thiophen-2-ylacetate (PubChem CID 566080) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is prop-2-enyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-thiophen-2-ylacetate
PubChem CID566080
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Nameprop-2-enyl 2-thiophen-2-ylacetate
SMILESC=CCOC(=O)Cc1cccs1
InChIInChI=1S/C9H10O2S/c1-2-5-11-9(10)7-8-4-3-6-12-8/h2-4,6H,1,5,7H2
InChIKeyVGOKREPYVUZCPQ-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-thiophen-2-ylacetate?
The IUPAC name of prop-2-enyl 2-thiophen-2-ylacetate (CID 566080) is prop-2-enyl 2-thiophen-2-ylacetate.
What is the SMILES notation for prop-2-enyl 2-thiophen-2-ylacetate?
The canonical SMILES for prop-2-enyl 2-thiophen-2-ylacetate is C=CCOC(=O)Cc1cccs1.
What is the InChIKey of prop-2-enyl 2-thiophen-2-ylacetate?
The InChIKey is VGOKREPYVUZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-5-11-9(10)7-8-4-3-6-12-8/h2-4,6H,1,5,7H2.
What are the key properties of prop-2-enyl 2-thiophen-2-ylacetate?
prop-2-enyl 2-thiophen-2-ylacetate has a molecular weight of 182.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 566080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).