(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile

C6H8N2 — CID 98228293

IUPAC(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESN#C[C@H]1NC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2/t4-,5-,6+/m0/s1
InChIKeyJFUYLMCSIHJLOX-HCWXCVPCSA-N
MW108.14 g/mol
LogP0.12
Rot. Bonds

About (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile

(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile (PubChem CID 98228293) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile.

Molecular Properties

Compound Name(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
PubChem CID98228293
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile
SMILESN#C[C@H]1NC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2/t4-,5-,6+/m0/s1
InChIKeyJFUYLMCSIHJLOX-HCWXCVPCSA-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 (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-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 (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The IUPAC name of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile (CID 98228293) is (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile.
What is the SMILES notation for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The canonical SMILES for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile is N#C[C@H]1NC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
The InChIKey is JFUYLMCSIHJLOX-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2/t4-,5-,6+/m0/s1.
What are the key properties of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile?
(1S,2S,5R)-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 (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carbonitrile is sourced from PubChem (CID 98228293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).