3-thiophen-3-ylcyclohex-2-en-1-one

C10H10OS — CID 10866911

IUPAC3-thiophen-3-ylcyclohex-2-en-1-one
SMILESO=C1C=C(c2ccsc2)CCC1
InChIInChI=1S/C10H10OS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h4-7H,1-3H2
InChIKeyYSFAOICUZDWWSM-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.88
Rot. Bonds1

About 3-thiophen-3-ylcyclohex-2-en-1-one

3-thiophen-3-ylcyclohex-2-en-1-one (PubChem CID 10866911) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-thiophen-3-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-thiophen-3-ylcyclohex-2-en-1-one
PubChem CID10866911
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name3-thiophen-3-ylcyclohex-2-en-1-one
SMILESO=C1C=C(c2ccsc2)CCC1
InChIInChI=1S/C10H10OS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h4-7H,1-3H2
InChIKeyYSFAOICUZDWWSM-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylcyclohex-2-en-1-one?
The IUPAC name of 3-thiophen-3-ylcyclohex-2-en-1-one (CID 10866911) is 3-thiophen-3-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-thiophen-3-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-thiophen-3-ylcyclohex-2-en-1-one is O=C1C=C(c2ccsc2)CCC1.
What is the InChIKey of 3-thiophen-3-ylcyclohex-2-en-1-one?
The InChIKey is YSFAOICUZDWWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h4-7H,1-3H2.
What are the key properties of 3-thiophen-3-ylcyclohex-2-en-1-one?
3-thiophen-3-ylcyclohex-2-en-1-one has a molecular weight of 178.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylcyclohex-2-en-1-one is sourced from PubChem (CID 10866911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).