3H-inden-1-yldiazene

C9H8N2 — CID 145441521

IUPAC3H-inden-1-yldiazene
SMILES[H]/N=N/C1=CCc2ccccc21
InChIInChI=1S/C9H8N2/c10-11-9-6-5-7-3-1-2-4-8(7)9/h1-4,6,10H,5H2/b11-10+
InChIKeyGMFGGMUBWBOIAG-ZHACJKMWSA-N
MW144.18 g/mol
LogP2.61
Rot. Bonds1

About 3H-inden-1-yldiazene

3H-inden-1-yldiazene (PubChem CID 145441521) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 3H-inden-1-yldiazene.

Molecular Properties

Compound Name3H-inden-1-yldiazene
PubChem CID145441521
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name3H-inden-1-yldiazene
SMILES[H]/N=N/C1=CCc2ccccc21
InChIInChI=1S/C9H8N2/c10-11-9-6-5-7-3-1-2-4-8(7)9/h1-4,6,10H,5H2/b11-10+
InChIKeyGMFGGMUBWBOIAG-ZHACJKMWSA-N
XLogP2.61
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 3H-inden-1-yldiazene?
The IUPAC name of 3H-inden-1-yldiazene (CID 145441521) is 3H-inden-1-yldiazene.
What is the SMILES notation for 3H-inden-1-yldiazene?
The canonical SMILES for 3H-inden-1-yldiazene is [H]/N=N/C1=CCc2ccccc21.
What is the InChIKey of 3H-inden-1-yldiazene?
The InChIKey is GMFGGMUBWBOIAG-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H8N2/c10-11-9-6-5-7-3-1-2-4-8(7)9/h1-4,6,10H,5H2/b11-10+.
What are the key properties of 3H-inden-1-yldiazene?
3H-inden-1-yldiazene has a molecular weight of 144.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-inden-1-yldiazene is sourced from PubChem (CID 145441521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).