1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane

C10H14N2 — CID 89217031

IUPAC1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1=CC(C23CNCC2C3)=NCC1
InChIInChI=1S/C10H14N2/c1-2-4-12-9(3-1)10-5-8(10)6-11-7-10/h1,3,8,11H,2,4-7H2
InChIKeyBYICNMJPEKULEH-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.00
Rot. Bonds1

About 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane

1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 89217031) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID89217031
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1=CC(C23CNCC2C3)=NCC1
InChIInChI=1S/C10H14N2/c1-2-4-12-9(3-1)10-5-8(10)6-11-7-10/h1,3,8,11H,2,4-7H2
InChIKeyBYICNMJPEKULEH-UHFFFAOYSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane (CID 89217031) is 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane is C1=CC(C23CNCC2C3)=NCC1.
What is the InChIKey of 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is BYICNMJPEKULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-4-12-9(3-1)10-5-8(10)6-11-7-10/h1,3,8,11H,2,4-7H2.
What are the key properties of 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane?
1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 162.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-6-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 89217031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).