1-cyclobutyl-3-thiophen-2-ylpropan-1-one

C11H14OS — CID 64982146

IUPAC1-cyclobutyl-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1CCC1
InChIInChI=1S/C11H14OS/c12-11(9-3-1-4-9)7-6-10-5-2-8-13-10/h2,5,8-9H,1,3-4,6-7H2
InChIKeyCRDSZICADOGITA-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclobutyl-3-thiophen-2-ylpropan-1-one

1-cyclobutyl-3-thiophen-2-ylpropan-1-one (PubChem CID 64982146) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-thiophen-2-ylpropan-1-one
PubChem CID64982146
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-cyclobutyl-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1CCC1
InChIInChI=1S/C11H14OS/c12-11(9-3-1-4-9)7-6-10-5-2-8-13-10/h2,5,8-9H,1,3-4,6-7H2
InChIKeyCRDSZICADOGITA-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-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
CID 105104895
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-2-ylpropan-1-one
CID 64982101
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
1-[4-(cyclobutanecarbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 156604416
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 79087743

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-cyclobutyl-3-thiophen-2-ylpropan-1-one (CID 64982146) is 1-cyclobutyl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-cyclobutyl-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-thiophen-2-ylpropan-1-one?
The InChIKey is CRDSZICADOGITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c12-11(9-3-1-4-9)7-6-10-5-2-8-13-10/h2,5,8-9H,1,3-4,6-7H2.
What are the key properties of 1-cyclobutyl-3-thiophen-2-ylpropan-1-one?
1-cyclobutyl-3-thiophen-2-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-2-ylpropan-1-one is sourced from PubChem (CID 64982146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).