1-cyclobutyl-3-thiophen-3-ylpropan-1-one

C11H14OS — CID 64981798

IUPAC1-cyclobutyl-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)C1CCC1
InChIInChI=1S/C11H14OS/c12-11(10-2-1-3-10)5-4-9-6-7-13-8-9/h6-8,10H,1-5H2
InChIKeyIJDRYXSRBCOVPA-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclobutyl-3-thiophen-3-ylpropan-1-one

1-cyclobutyl-3-thiophen-3-ylpropan-1-one (PubChem CID 64981798) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-thiophen-3-ylpropan-1-one
PubChem CID64981798
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-cyclobutyl-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)C1CCC1
InChIInChI=1S/C11H14OS/c12-11(10-2-1-3-10)5-4-9-6-7-13-8-9/h6-8,10H,1-5H2
InChIKeyIJDRYXSRBCOVPA-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
CID 116589205
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-cyclobutyl-3-thiophen-3-ylpropan-1-one (CID 64981798) is 1-cyclobutyl-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-cyclobutyl-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-thiophen-3-ylpropan-1-one?
The InChIKey is IJDRYXSRBCOVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c12-11(10-2-1-3-10)5-4-9-6-7-13-8-9/h6-8,10H,1-5H2.
What are the key properties of 1-cyclobutyl-3-thiophen-3-ylpropan-1-one?
1-cyclobutyl-3-thiophen-3-ylpropan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 64981798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).