imino(dioxido)azanium;1H-indole

C8H8N3O2- — CID 90133687

IUPACimino(dioxido)azanium;1H-indole
SMILES[H]N=[N+]([O-])[O-].c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.HN2O2/c1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h1-6,9H;(H-,1,3,4)/q;-1
InChIKeyLQKLZWLBSWHLOM-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.19
Rot. Bonds

About imino(dioxido)azanium;1H-indole

imino(dioxido)azanium;1H-indole (PubChem CID 90133687) has the molecular formula C8H8N3O2- and a molecular weight of 178.17 g/mol. Its IUPAC name is imino(dioxido)azanium;1H-indole.

Molecular Properties

Compound Nameimino(dioxido)azanium;1H-indole
PubChem CID90133687
Molecular FormulaC8H8N3O2-
Molecular Weight178.17 g/mol
Exact Mass178.06
IUPAC Nameimino(dioxido)azanium;1H-indole
SMILES[H]N=[N+]([O-])[O-].c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.HN2O2/c1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h1-6,9H;(H-,1,3,4)/q;-1
InChIKeyLQKLZWLBSWHLOM-UHFFFAOYSA-N
XLogP2.19
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino(dioxido)azanium;1H-indole?
The IUPAC name of imino(dioxido)azanium;1H-indole (CID 90133687) is imino(dioxido)azanium;1H-indole.
What is the SMILES notation for imino(dioxido)azanium;1H-indole?
The canonical SMILES for imino(dioxido)azanium;1H-indole is [H]N=[N+]([O-])[O-].c1ccc2[nH]ccc2c1.
What is the InChIKey of imino(dioxido)azanium;1H-indole?
The InChIKey is LQKLZWLBSWHLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.HN2O2/c1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h1-6,9H;(H-,1,3,4)/q;-1.
What are the key properties of imino(dioxido)azanium;1H-indole?
imino(dioxido)azanium;1H-indole has a molecular weight of 178.17 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino(dioxido)azanium;1H-indole is sourced from PubChem (CID 90133687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).