2-azidoindene-1,3-dione

C9H5N3O2 — CID 154444714

IUPAC2-azidoindene-1,3-dione
SMILES[N-]=[N+]=NC1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H5N3O2/c10-12-11-7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4,7H
InChIKeySPFVDLOSBPIVBK-UHFFFAOYSA-N
MW187.16 g/mol
LogP1.74
Rot. Bonds1

About 2-azidoindene-1,3-dione

2-azidoindene-1,3-dione (PubChem CID 154444714) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-azidoindene-1,3-dione.

Molecular Properties

Compound Name2-azidoindene-1,3-dione
PubChem CID154444714
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name2-azidoindene-1,3-dione
SMILES[N-]=[N+]=NC1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H5N3O2/c10-12-11-7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4,7H
InChIKeySPFVDLOSBPIVBK-UHFFFAOYSA-N
XLogP1.74
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-azidoindene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 77242
CID 77242
CID 341980
CID 341980
CID 12550279
CID 12550279
CID 414531
CID 414531
CID 4174836
CID 4174836
CID 5342383
CID 5342383
CID 88714
CID 88714
CID 134954613
CID 134954613
CID 267422
CID 267422
CID 2780280
CID 2780280
CID 12452136
CID 12452136
CID 13952463
CID 13952463

Frequently Asked Questions

What is the IUPAC name of 2-azidoindene-1,3-dione?
The IUPAC name of 2-azidoindene-1,3-dione (CID 154444714) is 2-azidoindene-1,3-dione.
What is the SMILES notation for 2-azidoindene-1,3-dione?
The canonical SMILES for 2-azidoindene-1,3-dione is [N-]=[N+]=NC1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-azidoindene-1,3-dione?
The InChIKey is SPFVDLOSBPIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-12-11-7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4,7H.
What are the key properties of 2-azidoindene-1,3-dione?
2-azidoindene-1,3-dione has a molecular weight of 187.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoindene-1,3-dione is sourced from PubChem (CID 154444714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).