2-diazoindene

C9H6N2 — CID 175054468

IUPAC2-diazoindene
SMILES[N-]=[N+]=C1C=c2ccccc2=C1
InChIInChI=1S/C9H6N2/c10-11-9-5-7-3-1-2-4-8(7)6-9/h1-6H
InChIKeyDOAGAXQCQILOPA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.07
Rot. Bonds

About 2-diazoindene

2-diazoindene (PubChem CID 175054468) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-diazoindene.

Molecular Properties

Compound Name2-diazoindene
PubChem CID175054468
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Name2-diazoindene
SMILES[N-]=[N+]=C1C=c2ccccc2=C1
InChIInChI=1S/C9H6N2/c10-11-9-5-7-3-1-2-4-8(7)6-9/h1-6H
InChIKeyDOAGAXQCQILOPA-UHFFFAOYSA-N
XLogP-0.07
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazoindene?
The IUPAC name of 2-diazoindene (CID 175054468) is 2-diazoindene.
What is the SMILES notation for 2-diazoindene?
The canonical SMILES for 2-diazoindene is [N-]=[N+]=C1C=c2ccccc2=C1.
What is the InChIKey of 2-diazoindene?
The InChIKey is DOAGAXQCQILOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c10-11-9-5-7-3-1-2-4-8(7)6-9/h1-6H.
What are the key properties of 2-diazoindene?
2-diazoindene has a molecular weight of 142.16 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazoindene is sourced from PubChem (CID 175054468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).