3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone

C17H20O — CID 115814566

IUPAC3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
SMILESO=C(c1cccc(C2CCC2)c1)C1CC2CC2C1
InChIInChI=1S/C17H20O/c18-17(16-9-14-8-15(14)10-16)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-7,11,14-16H,1,3-4,8-10H2
InChIKeyGOVKJTLFAYCZAB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.18
Rot. Bonds3

About 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone

3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone (PubChem CID 115814566) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
PubChem CID115814566
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
SMILESO=C(c1cccc(C2CCC2)c1)C1CC2CC2C1
InChIInChI=1S/C17H20O/c18-17(16-9-14-8-15(14)10-16)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-7,11,14-16H,1,3-4,8-10H2
InChIKeyGOVKJTLFAYCZAB-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azetidin-3-yl-(3-cyclobutylphenyl)methanone
CID 114607630
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
CID 114964124
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115814724
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
CID 114607433
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772
3-(cyclobutanecarbonyl)benzoyl chloride
CID 123709690
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
methyl 3-cyclohexylbenzoate
CID 67160762
(3-cyclobutylphenyl)-thiophen-3-ylmethanone
CID 114601713

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone (CID 115814566) is 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone is O=C(c1cccc(C2CCC2)c1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone?
The InChIKey is GOVKJTLFAYCZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c18-17(16-9-14-8-15(14)10-16)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-7,11,14-16H,1,3-4,8-10H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone?
3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone has a molecular weight of 240.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone is sourced from PubChem (CID 115814566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).