3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione

C15H18N2O2 — CID 23456596

IUPAC3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione
SMILESCC1(C)NC(=O)C2c3ccccc3C(=O)N2C1(C)C
InChIInChI=1S/C15H18N2O2/c1-14(2)15(3,4)17-11(12(18)16-14)9-7-5-6-8-10(9)13(17)19/h5-8,11H,1-4H3,(H,16,18)
InChIKeySXJSDAZARHVYFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.87
Rot. Bonds

About 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione

3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione (PubChem CID 23456596) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione
PubChem CID23456596
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione
SMILESCC1(C)NC(=O)C2c3ccccc3C(=O)N2C1(C)C
InChIInChI=1S/C15H18N2O2/c1-14(2)15(3,4)17-11(12(18)16-14)9-7-5-6-8-10(9)13(17)19/h5-8,11H,1-4H3,(H,16,18)
InChIKeySXJSDAZARHVYFU-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione?
The IUPAC name of 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione (CID 23456596) is 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione.
What is the SMILES notation for 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione?
The canonical SMILES for 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione is CC1(C)NC(=O)C2c3ccccc3C(=O)N2C1(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione?
The InChIKey is SXJSDAZARHVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-14(2)15(3,4)17-11(12(18)16-14)9-7-5-6-8-10(9)13(17)19/h5-8,11H,1-4H3,(H,16,18).
What are the key properties of 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione?
3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione has a molecular weight of 258.32 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione is sourced from PubChem (CID 23456596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).