1,1-diazidoindene

C9H6N6 — CID 57224262

IUPAC1,1-diazidoindene
SMILES[N-]=[N+]=NC1(N=[N+]=[N-])C=Cc2ccccc21
InChIInChI=1S/C9H6N6/c10-14-12-9(13-15-11)6-5-7-3-1-2-4-8(7)9/h1-6H
InChIKeyRDQPQTKWERGDCN-UHFFFAOYSA-N
MW198.19 g/mol
LogP3.49
Rot. Bonds2

About 1,1-diazidoindene

1,1-diazidoindene (PubChem CID 57224262) has the molecular formula C9H6N6 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1,1-diazidoindene.

Molecular Properties

Compound Name1,1-diazidoindene
PubChem CID57224262
Molecular FormulaC9H6N6
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1,1-diazidoindene
SMILES[N-]=[N+]=NC1(N=[N+]=[N-])C=Cc2ccccc21
InChIInChI=1S/C9H6N6/c10-14-12-9(13-15-11)6-5-7-3-1-2-4-8(7)9/h1-6H
InChIKeyRDQPQTKWERGDCN-UHFFFAOYSA-N
XLogP3.49
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diazidoindene?
The IUPAC name of 1,1-diazidoindene (CID 57224262) is 1,1-diazidoindene.
What is the SMILES notation for 1,1-diazidoindene?
The canonical SMILES for 1,1-diazidoindene is [N-]=[N+]=NC1(N=[N+]=[N-])C=Cc2ccccc21.
What is the InChIKey of 1,1-diazidoindene?
The InChIKey is RDQPQTKWERGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6/c10-14-12-9(13-15-11)6-5-7-3-1-2-4-8(7)9/h1-6H.
What are the key properties of 1,1-diazidoindene?
1,1-diazidoindene has a molecular weight of 198.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diazidoindene is sourced from PubChem (CID 57224262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).