3-azabicyclo[3.1.0]hexane-2-carbonitrile

C6H8N2 — CID 13150526

IUPAC3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESN#CC1NCC2CC21
InChIInChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2
InChIKeyJFUYLMCSIHJLOX-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.12
Rot. Bonds

About 3-azabicyclo[3.1.0]hexane-2-carbonitrile

3-azabicyclo[3.1.0]hexane-2-carbonitrile (PubChem CID 13150526) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane-2-carbonitrile.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane-2-carbonitrile
PubChem CID13150526
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESN#CC1NCC2CC21
InChIInChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2
InChIKeyJFUYLMCSIHJLOX-UHFFFAOYSA-N
XLogP0.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The IUPAC name of 3-azabicyclo[3.1.0]hexane-2-carbonitrile (CID 13150526) is 3-azabicyclo[3.1.0]hexane-2-carbonitrile.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane-2-carbonitrile is N#CC1NCC2CC21.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The InChIKey is JFUYLMCSIHJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2.
What are the key properties of 3-azabicyclo[3.1.0]hexane-2-carbonitrile?
3-azabicyclo[3.1.0]hexane-2-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane-2-carbonitrile is sourced from PubChem (CID 13150526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).