3-azabicyclo[3.1.0]hexane-1-carbonitrile

C6H8N2 — CID 23329187

IUPAC3-azabicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#CC12CNCC1C2
InChIInChI=1S/C6H8N2/c7-3-6-1-5(6)2-8-4-6/h5,8H,1-2,4H2
InChIKeyZMMHJHWUKIEUJA-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.12
Rot. Bonds

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

3-azabicyclo[3.1.0]hexane-1-carbonitrile (PubChem CID 23329187) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane-1-carbonitrile.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane-1-carbonitrile
PubChem CID23329187
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-azabicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#CC12CNCC1C2
InChIInChI=1S/C6H8N2/c7-3-6-1-5(6)2-8-4-6/h5,8H,1-2,4H2
InChIKeyZMMHJHWUKIEUJA-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

Analyze 3-azabicyclo[3.1.0]hexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The IUPAC name of 3-azabicyclo[3.1.0]hexane-1-carbonitrile (CID 23329187) is 3-azabicyclo[3.1.0]hexane-1-carbonitrile.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane-1-carbonitrile is N#CC12CNCC1C2.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane-1-carbonitrile?
The InChIKey is ZMMHJHWUKIEUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-3-6-1-5(6)2-8-4-6/h5,8H,1-2,4H2.
What are the key properties of 3-azabicyclo[3.1.0]hexane-1-carbonitrile?
3-azabicyclo[3.1.0]hexane-1-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-1-carbonitrile is sourced from PubChem (CID 23329187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).