1-phenyl-3-azabicyclo[3.1.0]hexane

C11H13N — CID 10130094

IUPAC1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(C23CNCC2C3)cc1
InChIInChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2
InChIKeyHYXPTPHIWQWOQF-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.55
Rot. Bonds1

About 1-phenyl-3-azabicyclo[3.1.0]hexane

1-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 10130094) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID10130094
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(C23CNCC2C3)cc1
InChIInChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2
InChIKeyHYXPTPHIWQWOQF-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-phenyl-3-azabicyclo[3.1.0]hexane (CID 10130094) is 1-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-phenyl-3-azabicyclo[3.1.0]hexane is c1ccc(C23CNCC2C3)cc1.
What is the InChIKey of 1-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is HYXPTPHIWQWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2.
What are the key properties of 1-phenyl-3-azabicyclo[3.1.0]hexane?
1-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 159.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 10130094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).