cyclopentyl-(3-ethylthiophen-2-yl)methanone

C12H16OS — CID 114962290

IUPACcyclopentyl-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)C1CCCC1
InChIInChI=1S/C12H16OS/c1-2-9-7-8-14-12(9)11(13)10-5-3-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyUXFMVSPZIFDQFT-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.68
Rot. Bonds3

About cyclopentyl-(3-ethylthiophen-2-yl)methanone

cyclopentyl-(3-ethylthiophen-2-yl)methanone (PubChem CID 114962290) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is cyclopentyl-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3-ethylthiophen-2-yl)methanone
PubChem CID114962290
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namecyclopentyl-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)C1CCCC1
InChIInChI=1S/C12H16OS/c1-2-9-7-8-14-12(9)11(13)10-5-3-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyUXFMVSPZIFDQFT-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of cyclopentyl-(3-ethylthiophen-2-yl)methanone (CID 114962290) is cyclopentyl-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for cyclopentyl-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-(3-ethylthiophen-2-yl)methanone?
The InChIKey is UXFMVSPZIFDQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-9-7-8-14-12(9)11(13)10-5-3-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of cyclopentyl-(3-ethylthiophen-2-yl)methanone?
cyclopentyl-(3-ethylthiophen-2-yl)methanone has a molecular weight of 208.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 114962290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).