2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one

C15H20N2O — CID 71029773

IUPAC2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
SMILESCC(C)(C)N1CCN2C(=O)c3ccccc3C2C1
InChIInChI=1S/C15H20N2O/c1-15(2,3)16-8-9-17-13(10-16)11-6-4-5-7-12(11)14(17)18/h4-7,13H,8-10H2,1-3H3
InChIKeyKOPWKNPPHDPPOD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds

About 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one

2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one (PubChem CID 71029773) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
PubChem CID71029773
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
SMILESCC(C)(C)N1CCN2C(=O)c3ccccc3C2C1
InChIInChI=1S/C15H20N2O/c1-15(2,3)16-8-9-17-13(10-16)11-6-4-5-7-12(11)14(17)18/h4-7,13H,8-10H2,1-3H3
InChIKeyKOPWKNPPHDPPOD-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
The IUPAC name of 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one (CID 71029773) is 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one is CC(C)(C)N1CCN2C(=O)c3ccccc3C2C1.
What is the InChIKey of 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
The InChIKey is KOPWKNPPHDPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)16-8-9-17-13(10-16)11-6-4-5-7-12(11)14(17)18/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one has a molecular weight of 244.34 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 71029773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).