4H-pyrazino[1,2-b]isoindol-6-one

C11H8N2O — CID 156744636

IUPAC4H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2ccccc2C2=CN=CCN12
InChIInChI=1S/C11H8N2O/c14-11-9-4-2-1-3-8(9)10-7-12-5-6-13(10)11/h1-5,7H,6H2
InChIKeyJNUBSYVSUOVMDD-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.53
Rot. Bonds

About 4H-pyrazino[1,2-b]isoindol-6-one

4H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 156744636) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name4H-pyrazino[1,2-b]isoindol-6-one
PubChem CID156744636
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name4H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2ccccc2C2=CN=CCN12
InChIInChI=1S/C11H8N2O/c14-11-9-4-2-1-3-8(9)10-7-12-5-6-13(10)11/h1-5,7H,6H2
InChIKeyJNUBSYVSUOVMDD-UHFFFAOYSA-N
XLogP1.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one
CID 22914370
2-(2,6-diaminopyrimidin-4-yl)isoindole-1,3-dione
CID 100984720
CID 58635188
CID 58635188
2-hydroxyisoindole-1,3-dione
CID 66775726
CID 58970820
CID 58970820
2-[3-(1,3-dioxoisoindol-2-yl)-1,4-dioxonaphthalen-2-yl]isoindole-1,3-dione
CID 13330620
2-(2-aminophenyl)isoindole-1,3-dione;hydrate
CID 45045681
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
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2-hydroxyisoindole-1,3-dione;propane
CID 143899638

Frequently Asked Questions

What is the IUPAC name of 4H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of 4H-pyrazino[1,2-b]isoindol-6-one (CID 156744636) is 4H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for 4H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for 4H-pyrazino[1,2-b]isoindol-6-one is O=C1c2ccccc2C2=CN=CCN12.
What is the InChIKey of 4H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is JNUBSYVSUOVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-9-4-2-1-3-8(9)10-7-12-5-6-13(10)11/h1-5,7H,6H2.
What are the key properties of 4H-pyrazino[1,2-b]isoindol-6-one?
4H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 184.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 156744636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).