7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

C11H12N2O2 — CID 11253485

IUPAC7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(O)cccc2C2CNCCN12
InChIInChI=1S/C11H12N2O2/c14-9-3-1-2-7-8-6-12-4-5-13(8)11(15)10(7)9/h1-3,8,12,14H,4-6H2
InChIKeyNROXZHMZQQOHQD-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.49
Rot. Bonds

About 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 11253485) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID11253485
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESO=C1c2c(O)cccc2C2CNCCN12
InChIInChI=1S/C11H12N2O2/c14-9-3-1-2-7-8-6-12-4-5-13(8)11(15)10(7)9/h1-3,8,12,14H,4-6H2
InChIKeyNROXZHMZQQOHQD-UHFFFAOYSA-N
XLogP0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 11253485) is 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is O=C1c2c(O)cccc2C2CNCCN12.
What is the InChIKey of 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is NROXZHMZQQOHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-9-3-1-2-7-8-6-12-4-5-13(8)11(15)10(7)9/h1-3,8,12,14H,4-6H2.
What are the key properties of 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 204.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 11253485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).