2-azido-1-hydroperoxy-2,3-dihydro-1H-indene

C9H9N3O2 — CID 135064362

IUPAC2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
SMILES[N-]=[N+]=NC1Cc2ccccc2C1OO
InChIInChI=1S/C9H9N3O2/c10-12-11-8-5-6-3-1-2-4-7(6)9(8)14-13/h1-4,8-9,13H,5H2
InChIKeyMGMLYGYGOSIVJR-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.45
Rot. Bonds2

About 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene

2-azido-1-hydroperoxy-2,3-dihydro-1H-indene (PubChem CID 135064362) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
PubChem CID135064362
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
SMILES[N-]=[N+]=NC1Cc2ccccc2C1OO
InChIInChI=1S/C9H9N3O2/c10-12-11-8-5-6-3-1-2-4-7(6)9(8)14-13/h1-4,8-9,13H,5H2
InChIKeyMGMLYGYGOSIVJR-UHFFFAOYSA-N
XLogP2.45
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene?
The IUPAC name of 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene (CID 135064362) is 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene is [N-]=[N+]=NC1Cc2ccccc2C1OO.
What is the InChIKey of 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene?
The InChIKey is MGMLYGYGOSIVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-12-11-8-5-6-3-1-2-4-7(6)9(8)14-13/h1-4,8-9,13H,5H2.
What are the key properties of 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene?
2-azido-1-hydroperoxy-2,3-dihydro-1H-indene has a molecular weight of 191.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-hydroperoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 135064362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).