3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

C11H16N2O2 — CID 10512560

IUPAC3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CC1NC(=O)C2=CCCN2C1=O
InChIInChI=1S/C11H16N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h4,7-8H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyWWTNTAAUKZQXDK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.65
Rot. Bonds2

About 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 10512560) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID10512560
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CC1NC(=O)C2=CCCN2C1=O
InChIInChI=1S/C11H16N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h4,7-8H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyWWTNTAAUKZQXDK-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 10512560) is 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)CC1NC(=O)C2=CCCN2C1=O.
What is the InChIKey of 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is WWTNTAAUKZQXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h4,7-8H,3,5-6H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 208.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 10512560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).