2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone

C11H14OS — CID 131151079

IUPAC2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2(C)CC2)s1
InChIInChI=1S/C11H14OS/c1-8-3-4-10(13-8)9(12)7-11(2)5-6-11/h3-4H,5-7H2,1-2H3
InChIKeyOZNISDQZFUTQCY-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.43
Rot. Bonds3

About 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone

2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 131151079) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID131151079
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2(C)CC2)s1
InChIInChI=1S/C11H14OS/c1-8-3-4-10(13-8)9(12)7-11(2)5-6-11/h3-4H,5-7H2,1-2H3
InChIKeyOZNISDQZFUTQCY-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethoxy-1-(5-methylthiophen-2-yl)propan-1-one
CID 115480651
2-(4-hydroxy-4-methylazepan-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 107405341
2-(4,4-diethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55221827
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
1-(5-methylthiophen-2-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanone
CID 43800262
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234
1-(5-methylthiophen-2-yl)pent-3-yn-1-one
CID 114964957
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
CID 2760078
6-(5-methylthiophen-2-yl)-6-oxohexanoic acid
CID 43446803
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone
CID 116750224
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone (CID 131151079) is 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CC2(C)CC2)s1.
What is the InChIKey of 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is OZNISDQZFUTQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-3-4-10(13-8)9(12)7-11(2)5-6-11/h3-4H,5-7H2,1-2H3.
What are the key properties of 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone?
2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 194.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 131151079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).