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

C11H12OS — CID 65171588

IUPAC3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=C(Cc2cccs2)CCC1
InChIInChI=1S/C11H12OS/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h2,5-7H,1,3-4,8H2
InChIKeyOCCIOEBJBFUIOH-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.97
Rot. Bonds2

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

3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one (PubChem CID 65171588) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one
PubChem CID65171588
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=C(Cc2cccs2)CCC1
InChIInChI=1S/C11H12OS/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h2,5-7H,1,3-4,8H2
InChIKeyOCCIOEBJBFUIOH-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one (CID 65171588) is 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one is O=C1C=C(Cc2cccs2)CCC1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is OCCIOEBJBFUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h2,5-7H,1,3-4,8H2.
What are the key properties of 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one?
3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 192.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 65171588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).