6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone

C11H12O2 — CID 114971785

IUPAC6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)C1C2CCCC21
InChIInChI=1S/C11H12O2/c12-11(7-4-5-13-6-7)10-8-2-1-3-9(8)10/h4-6,8-10H,1-3H2
InChIKeyDLMINJXHXPAJJF-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.51
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone

6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone (PubChem CID 114971785) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
PubChem CID114971785
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)C1C2CCCC21
InChIInChI=1S/C11H12O2/c12-11(7-4-5-13-6-7)10-8-2-1-3-9(8)10/h4-6,8-10H,1-3H2
InChIKeyDLMINJXHXPAJJF-UHFFFAOYSA-N
XLogP2.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(furan-3-yl)ethanone
CID 115795935
furan-3-yl-(4-methylcyclohexyl)methanone
CID 63947942
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
N-[1-[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]furan-3-carboxamide
CID 95905163
furan-3-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65423106
[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
CID 11176237
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone
CID 102893836
2-cycloheptyl-1-(furan-3-yl)ethanone
CID 114971700
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
N-cyclopropylfuran-3-carboxamide
CID 60698418

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone (CID 114971785) is 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone is O=C(c1ccoc1)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone?
The InChIKey is DLMINJXHXPAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(7-4-5-13-6-7)10-8-2-1-3-9(8)10/h4-6,8-10H,1-3H2.
What are the key properties of 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone?
6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone has a molecular weight of 176.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone is sourced from PubChem (CID 114971785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).