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

C13H18N2O — CID 70577375

IUPAC9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
SMILESCOC1=CC=C2CN3CCNC(C)C3=C2C1
InChIInChI=1S/C13H18N2O/c1-9-13-12-7-11(16-2)4-3-10(12)8-15(13)6-5-14-9/h3-4,9,14H,5-8H2,1-2H3
InChIKeyLCMGEQXNZIMGAP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.41
Rot. Bonds1

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

9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole (PubChem CID 70577375) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
PubChem CID70577375
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
SMILESCOC1=CC=C2CN3CCNC(C)C3=C2C1
InChIInChI=1S/C13H18N2O/c1-9-13-12-7-11(16-2)4-3-10(12)8-15(13)6-5-14-9/h3-4,9,14H,5-8H2,1-2H3
InChIKeyLCMGEQXNZIMGAP-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
The IUPAC name of 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole (CID 70577375) is 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole is COC1=CC=C2CN3CCNC(C)C3=C2C1.
What is the InChIKey of 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
The InChIKey is LCMGEQXNZIMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-13-12-7-11(16-2)4-3-10(12)8-15(13)6-5-14-9/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole?
9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole has a molecular weight of 218.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 70577375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).