3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one

C12H16OS — CID 114978214

IUPAC3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
SMILESCCc1ccc(C(=O)CCC2CC2)s1
InChIInChI=1S/C12H16OS/c1-2-10-6-8-12(14-10)11(13)7-5-9-3-4-9/h6,8-9H,2-5,7H2,1H3
InChIKeyXEQNRNGMBOZHFW-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.68
Rot. Bonds5

About 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one

3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one (PubChem CID 114978214) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
PubChem CID114978214
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
SMILESCCc1ccc(C(=O)CCC2CC2)s1
InChIInChI=1S/C12H16OS/c1-2-10-6-8-12(14-10)11(13)7-5-9-3-4-9/h6,8-9H,2-5,7H2,1H3
InChIKeyXEQNRNGMBOZHFW-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one 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 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one (CID 114978214) is 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one is CCc1ccc(C(=O)CCC2CC2)s1.
What is the InChIKey of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one?
The InChIKey is XEQNRNGMBOZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-10-6-8-12(14-10)11(13)7-5-9-3-4-9/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one?
3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one has a molecular weight of 208.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 114978214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).