4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione

C9H12N2O2 — CID 70418755

IUPAC4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione
SMILESCN1C(=O)C(=O)NC2CCCC=C21
InChIInChI=1S/C9H12N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyMGIUXXGHROVMAU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.01
Rot. Bonds

About 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione

4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione (PubChem CID 70418755) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione
PubChem CID70418755
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione
SMILESCN1C(=O)C(=O)NC2CCCC=C21
InChIInChI=1S/C9H12N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyMGIUXXGHROVMAU-UHFFFAOYSA-N
XLogP0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione (CID 70418755) is 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione is CN1C(=O)C(=O)NC2CCCC=C21.
What is the InChIKey of 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione?
The InChIKey is MGIUXXGHROVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h5-6H,2-4H2,1H3,(H,10,12).
What are the key properties of 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione?
4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione has a molecular weight of 180.21 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 70418755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).