2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C10H16N2O2 — CID 54268395

IUPAC2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2C(C)CCC2C(=O)N1C
InChIInChI=1S/C10H16N2O2/c1-6-4-5-8-10(14)11(3)7(2)9(13)12(6)8/h6-8H,4-5H2,1-3H3
InChIKeyRIJZRJIUQBTRDQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.23
Rot. Bonds

About 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 54268395) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID54268395
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC1C(=O)N2C(C)CCC2C(=O)N1C
InChIInChI=1S/C10H16N2O2/c1-6-4-5-8-10(14)11(3)7(2)9(13)12(6)8/h6-8H,4-5H2,1-3H3
InChIKeyRIJZRJIUQBTRDQ-UHFFFAOYSA-N
XLogP0.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149567
methyl (3R,7S,8aS)-6-(1,3-benzodioxol-5-yl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 118440219
ethane;molecular iodine;2,5,6-trimethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 158954132
3,4-dimethyl-1-(methylaminomethyl)piperazin-2-one
CID 115102218
(3S,6S,7S)-6-(3,4-dichlorophenyl)-2,3,7-trimethyl-1,4-dioxo-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile
CID 134578593
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
3-fluoro-1,5-dimethylpyrrolidin-2-one
CID 118331524
1-fluoro-3,6-dimethylpiperidin-2-one
CID 152618779
1-hydroxy-3,4-dimethylimidazolidin-2-one
CID 154468014
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
(2R,5R,8R)-2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 22941401
4-(2-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)cyclohexan-1-one
CID 168964656

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 54268395) is 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC1C(=O)N2C(C)CCC2C(=O)N1C.
What is the InChIKey of 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is RIJZRJIUQBTRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-4-5-8-10(14)11(3)7(2)9(13)12(6)8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 54268395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).