3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one

C12H14OS — CID 65172195

IUPAC3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one
SMILESO=C1C=C(CCc2cccs2)CCC1
InChIInChI=1S/C12H14OS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h2,5,8-9H,1,3-4,6-7H2
InChIKeyZBDXTJSTGKSNGJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.36
Rot. Bonds3

About 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one

3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one (PubChem CID 65172195) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one
PubChem CID65172195
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one
SMILESO=C1C=C(CCc2cccs2)CCC1
InChIInChI=1S/C12H14OS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h2,5,8-9H,1,3-4,6-7H2
InChIKeyZBDXTJSTGKSNGJ-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one
CID 65171588
3-[2-(benzenesulfinyl)ethyl]cyclohex-2-en-1-one
CID 11565035
2-[2-(3-chlorocyclohepten-1-yl)ethyl]thiophene
CID 107383981
3-[2-(1,3-dioxolan-2-yl)ethyl]cyclohex-2-en-1-one
CID 10921454
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
CID 59269201
CID 59269201
2-(bromomethyl)thiophene
CID 11829978
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
3-dodecylcyclohept-2-en-1-one
CID 107382706

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one (CID 65172195) is 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one is O=C1C=C(CCc2cccs2)CCC1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one?
The InChIKey is ZBDXTJSTGKSNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h2,5,8-9H,1,3-4,6-7H2.
What are the key properties of 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one?
3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one has a molecular weight of 206.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 65172195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).