2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone

C12H15ClOS — CID 130534501

IUPAC2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(C(=O)Cc2sccc2Cl)C1
InChIInChI=1S/C12H15ClOS/c1-8-2-3-9(6-8)11(14)7-12-10(13)4-5-15-12/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyHOIWADKUFRXPJF-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.95
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone

2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone (PubChem CID 130534501) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone
PubChem CID130534501
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(C(=O)Cc2sccc2Cl)C1
InChIInChI=1S/C12H15ClOS/c1-8-2-3-9(6-8)11(14)7-12-10(13)4-5-15-12/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyHOIWADKUFRXPJF-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone (CID 130534501) is 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone is CC1CCC(C(=O)Cc2sccc2Cl)C1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone?
The InChIKey is HOIWADKUFRXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c1-8-2-3-9(6-8)11(14)7-12-10(13)4-5-15-12/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone?
2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone has a molecular weight of 242.77 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(3-methylcyclopentyl)ethanone is sourced from PubChem (CID 130534501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).