4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

C14H14N2O4 — CID 82784190

IUPAC4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESCC1(C)CC1n1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H14N2O4/c1-14(2)6-10(14)16-9-5-7(13(19)20)3-4-8(9)15-11(17)12(16)18/h3-5,10H,6H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyOPIUHLOUHLQODX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.36
Rot. Bonds2

About 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (PubChem CID 82784190) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
PubChem CID82784190
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESCC1(C)CC1n1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H14N2O4/c1-14(2)6-10(14)16-9-5-7(13(19)20)3-4-8(9)15-11(17)12(16)18/h3-5,10H,6H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyOPIUHLOUHLQODX-UHFFFAOYSA-N
XLogP1.36
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (CID 82784190) is 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is CC1(C)CC1n1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The InChIKey is OPIUHLOUHLQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-14(2)6-10(14)16-9-5-7(13(19)20)3-4-8(9)15-11(17)12(16)18/h3-5,10H,6H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylcyclopropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 82784190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).