6-nitro-1-phenylindole-2,3-dione

C14H8N2O4 — CID 2750946

IUPAC6-nitro-1-phenylindole-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)15(14(13)18)9-4-2-1-3-5-9/h1-8H
InChIKeyYNYJBQNOQHWNNB-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.46
Rot. Bonds2

About 6-nitro-1-phenylindole-2,3-dione

6-nitro-1-phenylindole-2,3-dione (PubChem CID 2750946) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is 6-nitro-1-phenylindole-2,3-dione.

Molecular Properties

Compound Name6-nitro-1-phenylindole-2,3-dione
PubChem CID2750946
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name6-nitro-1-phenylindole-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)15(14(13)18)9-4-2-1-3-5-9/h1-8H
InChIKeyYNYJBQNOQHWNNB-UHFFFAOYSA-N
XLogP2.46
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 6-nitro-1-phenylindole-2,3-dione?
The IUPAC name of 6-nitro-1-phenylindole-2,3-dione (CID 2750946) is 6-nitro-1-phenylindole-2,3-dione.
What is the SMILES notation for 6-nitro-1-phenylindole-2,3-dione?
The canonical SMILES for 6-nitro-1-phenylindole-2,3-dione is O=C1C(=O)N(c2ccccc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 6-nitro-1-phenylindole-2,3-dione?
The InChIKey is YNYJBQNOQHWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)15(14(13)18)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 6-nitro-1-phenylindole-2,3-dione?
6-nitro-1-phenylindole-2,3-dione has a molecular weight of 268.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-phenylindole-2,3-dione is sourced from PubChem (CID 2750946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).