1-(5-prop-2-enylthiophen-2-yl)ethanone

C9H10OS — CID 86075402

IUPAC1-(5-prop-2-enylthiophen-2-yl)ethanone
SMILESC=CCc1ccc(C(C)=O)s1
InChIInChI=1S/C9H10OS/c1-3-4-8-5-6-9(11-8)7(2)10/h3,5-6H,1,4H2,2H3
InChIKeyGBKYCKMMHYOTFT-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-prop-2-enylthiophen-2-yl)ethanone

1-(5-prop-2-enylthiophen-2-yl)ethanone (PubChem CID 86075402) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-(5-prop-2-enylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-prop-2-enylthiophen-2-yl)ethanone
PubChem CID86075402
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name1-(5-prop-2-enylthiophen-2-yl)ethanone
SMILESC=CCc1ccc(C(C)=O)s1
InChIInChI=1S/C9H10OS/c1-3-4-8-5-6-9(11-8)7(2)10/h3,5-6H,1,4H2,2H3
InChIKeyGBKYCKMMHYOTFT-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-prop-2-enylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-prop-2-enylthiophen-2-yl)ethanone (CID 86075402) is 1-(5-prop-2-enylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-prop-2-enylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-prop-2-enylthiophen-2-yl)ethanone is C=CCc1ccc(C(C)=O)s1.
What is the InChIKey of 1-(5-prop-2-enylthiophen-2-yl)ethanone?
The InChIKey is GBKYCKMMHYOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-3-4-8-5-6-9(11-8)7(2)10/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-(5-prop-2-enylthiophen-2-yl)ethanone?
1-(5-prop-2-enylthiophen-2-yl)ethanone has a molecular weight of 166.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-2-enylthiophen-2-yl)ethanone is sourced from PubChem (CID 86075402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).