3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one

C11H14OS — CID 116538362

IUPAC3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one
SMILESCc1ccc(C2(C)CCC(=O)C2)s1
InChIInChI=1S/C11H14OS/c1-8-3-4-10(13-8)11(2)6-5-9(12)7-11/h3-4H,5-7H2,1-2H3
InChIKeyBQUYXYRBUBYFPS-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.07
Rot. Bonds1

About 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one

3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one (PubChem CID 116538362) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one
PubChem CID116538362
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one
SMILESCc1ccc(C2(C)CCC(=O)C2)s1
InChIInChI=1S/C11H14OS/c1-8-3-4-10(13-8)11(2)6-5-9(12)7-11/h3-4H,5-7H2,1-2H3
InChIKeyBQUYXYRBUBYFPS-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one (CID 116538362) is 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one is Cc1ccc(C2(C)CCC(=O)C2)s1.
What is the InChIKey of 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one?
The InChIKey is BQUYXYRBUBYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-3-4-10(13-8)11(2)6-5-9(12)7-11/h3-4H,5-7H2,1-2H3.
What are the key properties of 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one?
3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one is sourced from PubChem (CID 116538362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).