cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone

C12H14OS — CID 103449971

IUPACcyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)C1=CCCCC1
InChIInChI=1S/C12H14OS/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,7-8H,2-4,6H2,1H3
InChIKeyXXAZIWVKZVEIOS-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.74
Rot. Bonds2

About cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone

cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone (PubChem CID 103449971) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
PubChem CID103449971
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Namecyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)C1=CCCCC1
InChIInChI=1S/C12H14OS/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,7-8H,2-4,6H2,1H3
InChIKeyXXAZIWVKZVEIOS-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304
bis(2-methylthiophen-3-yl)methanone
CID 101441488
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
CID 103450051
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone (CID 103449971) is cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone?
The InChIKey is XXAZIWVKZVEIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone?
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone has a molecular weight of 206.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 103449971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).