6-nitro-3-azabicyclo[3.1.0]hexane

C5H8N2O2 — CID 21311086

IUPAC6-nitro-3-azabicyclo[3.1.0]hexane
SMILESO=[N+]([O-])C1C2CNCC21
InChIInChI=1S/C5H8N2O2/c8-7(9)5-3-1-6-2-4(3)5/h3-6H,1-2H2
InChIKeyGBIHYASBAOVCLO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.52
Rot. Bonds1

About 6-nitro-3-azabicyclo[3.1.0]hexane

6-nitro-3-azabicyclo[3.1.0]hexane (PubChem CID 21311086) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 6-nitro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-nitro-3-azabicyclo[3.1.0]hexane
PubChem CID21311086
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name6-nitro-3-azabicyclo[3.1.0]hexane
SMILESO=[N+]([O-])C1C2CNCC21
InChIInChI=1S/C5H8N2O2/c8-7(9)5-3-1-6-2-4(3)5/h3-6H,1-2H2
InChIKeyGBIHYASBAOVCLO-UHFFFAOYSA-N
XLogP-0.52
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-nitro-3-azabicyclo[3.1.0]hexane (CID 21311086) is 6-nitro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-nitro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-nitro-3-azabicyclo[3.1.0]hexane is O=[N+]([O-])C1C2CNCC21.
What is the InChIKey of 6-nitro-3-azabicyclo[3.1.0]hexane?
The InChIKey is GBIHYASBAOVCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-7(9)5-3-1-6-2-4(3)5/h3-6H,1-2H2.
What are the key properties of 6-nitro-3-azabicyclo[3.1.0]hexane?
6-nitro-3-azabicyclo[3.1.0]hexane has a molecular weight of 128.13 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 21311086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).