1-thiophen-2-ylprop-2-enyl acetate

C9H10O2S — CID 11286846

IUPAC1-thiophen-2-ylprop-2-enyl acetate
SMILESC=CC(OC(C)=O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-3-8(11-7(2)10)9-5-4-6-12-9/h3-6,8H,1H2,2H3
InChIKeyTVPAGOAMCMWSCD-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.54
Rot. Bonds3

About 1-thiophen-2-ylprop-2-enyl acetate

1-thiophen-2-ylprop-2-enyl acetate (PubChem CID 11286846) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-thiophen-2-ylprop-2-enyl acetate.

Molecular Properties

Compound Name1-thiophen-2-ylprop-2-enyl acetate
PubChem CID11286846
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-thiophen-2-ylprop-2-enyl acetate
SMILESC=CC(OC(C)=O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-3-8(11-7(2)10)9-5-4-6-12-9/h3-6,8H,1H2,2H3
InChIKeyTVPAGOAMCMWSCD-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.54
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 1-thiophen-2-ylprop-2-enyl acetate?
The IUPAC name of 1-thiophen-2-ylprop-2-enyl acetate (CID 11286846) is 1-thiophen-2-ylprop-2-enyl acetate.
What is the SMILES notation for 1-thiophen-2-ylprop-2-enyl acetate?
The canonical SMILES for 1-thiophen-2-ylprop-2-enyl acetate is C=CC(OC(C)=O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylprop-2-enyl acetate?
The InChIKey is TVPAGOAMCMWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-3-8(11-7(2)10)9-5-4-6-12-9/h3-6,8H,1H2,2H3.
What are the key properties of 1-thiophen-2-ylprop-2-enyl acetate?
1-thiophen-2-ylprop-2-enyl acetate has a molecular weight of 182.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylprop-2-enyl acetate is sourced from PubChem (CID 11286846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).