cyclohexen-1-yl(thiophen-3-yl)methanone

C11H12OS — CID 62079928

IUPACcyclohexen-1-yl(thiophen-3-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccsc1
InChIInChI=1S/C11H12OS/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyITAGPIVPCJOQJP-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.43
Rot. Bonds2

About cyclohexen-1-yl(thiophen-3-yl)methanone

cyclohexen-1-yl(thiophen-3-yl)methanone (PubChem CID 62079928) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is cyclohexen-1-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(thiophen-3-yl)methanone
PubChem CID62079928
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Namecyclohexen-1-yl(thiophen-3-yl)methanone
SMILESO=C(C1=CCCCC1)c1ccsc1
InChIInChI=1S/C11H12OS/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyITAGPIVPCJOQJP-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexen-1-yl(naphthalen-2-yl)methanone
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cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
2-cyclopentylidene-2-thiophen-3-ylacetic acid
CID 122373959
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718
(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone
CID 103450541
1,3-benzodioxol-5-yl(cyclohepten-1-yl)methanone
CID 114999931
[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
CID 106651853
(3-chloro-4-iodophenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655975

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(thiophen-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl(thiophen-3-yl)methanone (CID 62079928) is cyclohexen-1-yl(thiophen-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(thiophen-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(thiophen-3-yl)methanone is O=C(C1=CCCCC1)c1ccsc1.
What is the InChIKey of cyclohexen-1-yl(thiophen-3-yl)methanone?
The InChIKey is ITAGPIVPCJOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2.
What are the key properties of cyclohexen-1-yl(thiophen-3-yl)methanone?
cyclohexen-1-yl(thiophen-3-yl)methanone has a molecular weight of 192.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 62079928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).