2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene

C8H14N2 — CID 57170884

IUPAC2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene
SMILES[H]/N=N/C12CCCC1CCC2
InChIInChI=1S/C8H14N2/c9-10-8-5-1-3-7(8)4-2-6-8/h7,9H,1-6H2/b10-9+
InChIKeyGLVWGRMREOVQQG-MDZDMXLPSA-N
MW138.21 g/mol
LogP2.74
Rot. Bonds1

About 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene

2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene (PubChem CID 57170884) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene
PubChem CID57170884
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene
SMILES[H]/N=N/C12CCCC1CCC2
InChIInChI=1S/C8H14N2/c9-10-8-5-1-3-7(8)4-2-6-8/h7,9H,1-6H2/b10-9+
InChIKeyGLVWGRMREOVQQG-MDZDMXLPSA-N
XLogP2.74
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene 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 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene (CID 57170884) is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene is [H]/N=N/C12CCCC1CCC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene?
The InChIKey is GLVWGRMREOVQQG-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H14N2/c9-10-8-5-1-3-7(8)4-2-6-8/h7,9H,1-6H2/b10-9+.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene?
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene has a molecular weight of 138.21 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yldiazene is sourced from PubChem (CID 57170884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).