9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole

C12H16N2O — CID 70575749

IUPAC9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
SMILESCOC1=CC=C2CN3CCNCC3=C2C1
InChIInChI=1S/C12H16N2O/c1-15-10-3-2-9-8-14-5-4-13-7-12(14)11(9)6-10/h2-3,13H,4-8H2,1H3
InChIKeyXKKSLZGKRGWVJB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.02
Rot. Bonds1

About 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole

9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole (PubChem CID 70575749) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
PubChem CID70575749
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
SMILESCOC1=CC=C2CN3CCNCC3=C2C1
InChIInChI=1S/C12H16N2O/c1-15-10-3-2-9-8-14-5-4-13-7-12(14)11(9)6-10/h2-3,13H,4-8H2,1H3
InChIKeyXKKSLZGKRGWVJB-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
The IUPAC name of 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole (CID 70575749) is 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole is COC1=CC=C2CN3CCNCC3=C2C1.
What is the InChIKey of 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
The InChIKey is XKKSLZGKRGWVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-10-3-2-9-8-14-5-4-13-7-12(14)11(9)6-10/h2-3,13H,4-8H2,1H3.
What are the key properties of 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole has a molecular weight of 204.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 70575749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).