1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone

C12H18O — CID 114973977

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)C1CC2CC2C1
InChIInChI=1S/C12H18O/c13-12(4-8-2-1-3-8)11-6-9-5-10(9)7-11/h8-11H,1-7H2
InChIKeyHXYQSJDYYCSXTE-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone

1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone (PubChem CID 114973977) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
PubChem CID114973977
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)C1CC2CC2C1
InChIInChI=1S/C12H18O/c13-12(4-8-2-1-3-8)11-6-9-5-10(9)7-11/h8-11H,1-7H2
InChIKeyHXYQSJDYYCSXTE-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
CID 171938145
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
CID 116580723
2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone
CID 115786048
2-cyclobutylacetyl chloride
CID 14326266
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
CID 115336272
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
CID 157249668
2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114973953
2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-2-cyclobutylethanone
CID 116549195

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone (CID 114973977) is 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone is O=C(CC1CCC1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone?
The InChIKey is HXYQSJDYYCSXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-12(4-8-2-1-3-8)11-6-9-5-10(9)7-11/h8-11H,1-7H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone?
1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone has a molecular weight of 178.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone is sourced from PubChem (CID 114973977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).