1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one

C13H18OS — CID 114972116

IUPAC1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
SMILESCC1(C(=O)CCc2ccsc2)CCCC1
InChIInChI=1S/C13H18OS/c1-13(7-2-3-8-13)12(14)5-4-11-6-9-15-10-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyCWZABWJBYAMWBI-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.83
Rot. Bonds4

About 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one

1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972116) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972116
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
SMILESCC1(C(=O)CCc2ccsc2)CCCC1
InChIInChI=1S/C13H18OS/c1-13(7-2-3-8-13)12(14)5-4-11-6-9-15-10-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyCWZABWJBYAMWBI-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 116558832
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
CID 104598702
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one (CID 114972116) is 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one is CC1(C(=O)CCc2ccsc2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is CWZABWJBYAMWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-13(7-2-3-8-13)12(14)5-4-11-6-9-15-10-11/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one?
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 222.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).