3-methyl-2-thiophen-3-ylcyclohexan-1-one

C11H14OS — CID 101419883

IUPAC3-methyl-2-thiophen-3-ylcyclohexan-1-one
SMILESCC1CCCC(=O)C1c1ccsc1
InChIInChI=1S/C11H14OS/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h5-8,11H,2-4H2,1H3
InChIKeyOQDFKFAAOBJNNY-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds1

About 3-methyl-2-thiophen-3-ylcyclohexan-1-one

3-methyl-2-thiophen-3-ylcyclohexan-1-one (PubChem CID 101419883) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-methyl-2-thiophen-3-ylcyclohexan-1-one.

Molecular Properties

Compound Name3-methyl-2-thiophen-3-ylcyclohexan-1-one
PubChem CID101419883
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-methyl-2-thiophen-3-ylcyclohexan-1-one
SMILESCC1CCCC(=O)C1c1ccsc1
InChIInChI=1S/C11H14OS/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h5-8,11H,2-4H2,1H3
InChIKeyOQDFKFAAOBJNNY-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-3-thiophen-3-ylcycloheptan-1-amine
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5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445
trimethyl-(3-thiophen-3-ylcyclohexen-1-yl)oxysilane
CID 10562803
(3R,3aS,4S,7aS)-4-chloro-1-(4-methylphenyl)sulfonyl-3-thiophen-3-yl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
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2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
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(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
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(3aS,7aR)-1-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
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cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-3-ylcyclohexan-1-one?
The IUPAC name of 3-methyl-2-thiophen-3-ylcyclohexan-1-one (CID 101419883) is 3-methyl-2-thiophen-3-ylcyclohexan-1-one.
What is the SMILES notation for 3-methyl-2-thiophen-3-ylcyclohexan-1-one?
The canonical SMILES for 3-methyl-2-thiophen-3-ylcyclohexan-1-one is CC1CCCC(=O)C1c1ccsc1.
What is the InChIKey of 3-methyl-2-thiophen-3-ylcyclohexan-1-one?
The InChIKey is OQDFKFAAOBJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 3-methyl-2-thiophen-3-ylcyclohexan-1-one?
3-methyl-2-thiophen-3-ylcyclohexan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-3-ylcyclohexan-1-one is sourced from PubChem (CID 101419883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).