5-nitro-1H-indole-2,3-dione

C8H4N2O4 — CID 4669250

IUPAC5-nitro-1H-indole-2,3-dione
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChIKeyUNMYHYODJHKLOC-UHFFFAOYSA-N
MW192.13 g/mol
LogP0.73
Rot. Bonds1

About 5-nitro-1H-indole-2,3-dione

5-nitro-1H-indole-2,3-dione (PubChem CID 4669250) has the molecular formula C8H4N2O4 and a molecular weight of 192.13 g/mol. Its IUPAC name is 5-nitro-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-nitro-1H-indole-2,3-dione
PubChem CID4669250
Molecular FormulaC8H4N2O4
Molecular Weight192.13 g/mol
Exact Mass192.02
IUPAC Name5-nitro-1H-indole-2,3-dione
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChIKeyUNMYHYODJHKLOC-UHFFFAOYSA-N
XLogP0.73
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_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 5-nitro-1H-indole-2,3-dione?
The IUPAC name of 5-nitro-1H-indole-2,3-dione (CID 4669250) is 5-nitro-1H-indole-2,3-dione.
What is the SMILES notation for 5-nitro-1H-indole-2,3-dione?
The canonical SMILES for 5-nitro-1H-indole-2,3-dione is O=C1Nc2ccc([N+](=O)[O-])cc2C1=O.
What is the InChIKey of 5-nitro-1H-indole-2,3-dione?
The InChIKey is UNMYHYODJHKLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12).
What are the key properties of 5-nitro-1H-indole-2,3-dione?
5-nitro-1H-indole-2,3-dione has a molecular weight of 192.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1H-indole-2,3-dione is sourced from PubChem (CID 4669250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).