5-methyl-6-nitro-1H-indole-2,3-dione

C9H6N2O4 — CID 119088829

IUPAC5-methyl-6-nitro-1H-indole-2,3-dione
SMILESCc1cc2c(cc1[N+](=O)[O-])NC(=O)C2=O
InChIInChI=1S/C9H6N2O4/c1-4-2-5-6(3-7(4)11(14)15)10-9(13)8(5)12/h2-3H,1H3,(H,10,12,13)
InChIKeyQIBOLZABZDVJBV-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.04
Rot. Bonds1

About 5-methyl-6-nitro-1H-indole-2,3-dione

5-methyl-6-nitro-1H-indole-2,3-dione (PubChem CID 119088829) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-methyl-6-nitro-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-6-nitro-1H-indole-2,3-dione
PubChem CID119088829
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name5-methyl-6-nitro-1H-indole-2,3-dione
SMILESCc1cc2c(cc1[N+](=O)[O-])NC(=O)C2=O
InChIInChI=1S/C9H6N2O4/c1-4-2-5-6(3-7(4)11(14)15)10-9(13)8(5)12/h2-3H,1H3,(H,10,12,13)
InChIKeyQIBOLZABZDVJBV-UHFFFAOYSA-N
XLogP1.04
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.04
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-methyl-6-nitro-1H-indole-2,3-dione?
The IUPAC name of 5-methyl-6-nitro-1H-indole-2,3-dione (CID 119088829) is 5-methyl-6-nitro-1H-indole-2,3-dione.
What is the SMILES notation for 5-methyl-6-nitro-1H-indole-2,3-dione?
The canonical SMILES for 5-methyl-6-nitro-1H-indole-2,3-dione is Cc1cc2c(cc1[N+](=O)[O-])NC(=O)C2=O.
What is the InChIKey of 5-methyl-6-nitro-1H-indole-2,3-dione?
The InChIKey is QIBOLZABZDVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c1-4-2-5-6(3-7(4)11(14)15)10-9(13)8(5)12/h2-3H,1H3,(H,10,12,13).
What are the key properties of 5-methyl-6-nitro-1H-indole-2,3-dione?
5-methyl-6-nitro-1H-indole-2,3-dione has a molecular weight of 206.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-nitro-1H-indole-2,3-dione is sourced from PubChem (CID 119088829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).