3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione

C11H16N2O2 — CID 15322685

IUPAC3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione
SMILESCC1NC2=C(NC1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C11H16N2O2/c1-6-10(15)13-9-7(12-6)4-11(2,3)5-8(9)14/h6,12H,4-5H2,1-3H3,(H,13,15)
InChIKeyANLAZDFRFWYRTK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds

About 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione

3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione (PubChem CID 15322685) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione
PubChem CID15322685
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione
SMILESCC1NC2=C(NC1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C11H16N2O2/c1-6-10(15)13-9-7(12-6)4-11(2,3)5-8(9)14/h6,12H,4-5H2,1-3H3,(H,13,15)
InChIKeyANLAZDFRFWYRTK-UHFFFAOYSA-N
XLogP0.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione with MolForge

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Related Compounds

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CID 4210238
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CID 102149559
3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117846
(4S)-2,4,7,7-tetramethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 721570
4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 58119712
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
9-(4-butoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 3843763
(10R)-7,7-dimethyl-10-phenyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 1211712
9-(3,5-dibromo-4-hydroxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 23775565
(6S)-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 667861

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione?
The IUPAC name of 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione (CID 15322685) is 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione.
What is the SMILES notation for 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione?
The canonical SMILES for 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione is CC1NC2=C(NC1=O)C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione?
The InChIKey is ANLAZDFRFWYRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-10(15)13-9-7(12-6)4-11(2,3)5-8(9)14/h6,12H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione?
3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione has a molecular weight of 208.26 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-3,4,5,7-tetrahydro-1H-quinoxaline-2,8-dione is sourced from PubChem (CID 15322685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).