1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane

C13H13NO — CID 44561205

IUPAC1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2oc(C34CNCC3C4)cc2c1
InChIInChI=1S/C13H13NO/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
InChIKeyFRXUZFQLSGFGPV-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.29
Rot. Bonds1

About 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane

1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561205) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561205
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2oc(C34CNCC3C4)cc2c1
InChIInChI=1S/C13H13NO/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
InChIKeyFRXUZFQLSGFGPV-UHFFFAOYSA-N
XLogP2.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane (CID 44561205) is 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane is c1ccc2oc(C34CNCC3C4)cc2c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is FRXUZFQLSGFGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2.
What are the key properties of 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane?
1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 199.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).