7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile

C9H2N4O4 — CID 5353536

IUPAC—
SMILESN#Cc1cc2nc([O])c([O])nc2cc1[N+](=O)[O-]
InChIInChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
InChIKeyIAWXTSMHXFRLQR-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.70
Rot. Bonds1

About 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile

7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile (PubChem CID 5353536) has the molecular formula C9H2N4O4 and a molecular weight of 230.14 g/mol.

Molecular Properties

Compound Name7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile
PubChem CID5353536
Molecular FormulaC9H2N4O4
Molecular Weight230.14 g/mol
Exact Mass230.01
IUPAC Name—
SMILESN#Cc1cc2nc([O])c([O])nc2cc1[N+](=O)[O-]
InChIInChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
InChIKeyIAWXTSMHXFRLQR-UHFFFAOYSA-N
XLogP1.70
TPSA132.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile?
The IUPAC name of 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile (CID 5353536) is not available.
What is the SMILES notation for 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile?
The canonical SMILES for 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile is N#Cc1cc2nc([O])c([O])nc2cc1[N+](=O)[O-].
What is the InChIKey of 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile?
The InChIKey is IAWXTSMHXFRLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H.
What are the key properties of 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile?
7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile has a molecular weight of 230.14 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile is sourced from PubChem (CID 5353536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).