1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone

C13H18OS — CID 107003842

IUPAC1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CC2(C)C)s1
InChIInChI=1S/C13H18OS/c1-4-9-5-6-10(15-9)7-12(14)11-8-13(11,2)3/h5-6,11H,4,7-8H2,1-3H3
InChIKeyYERVJLSLXDAEQJ-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.47
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 107003842) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID107003842
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CC2(C)C)s1
InChIInChI=1S/C13H18OS/c1-4-9-5-6-10(15-9)7-12(14)11-8-13(11,2)3/h5-6,11H,4,7-8H2,1-3H3
InChIKeyYERVJLSLXDAEQJ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829547
2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 114967727
1-(1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 79973600
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
2,5-diethylthiophene
CID 521294
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate
CID 82894804
2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
CID 107001810

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone (CID 107003842) is 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)C2CC2(C)C)s1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is YERVJLSLXDAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-4-9-5-6-10(15-9)7-12(14)11-8-13(11,2)3/h5-6,11H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 222.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 107003842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).