1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C19H20N2O — CID 15957467

IUPAC1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1cccc(C2NCCn3c2c(C)c2ccccc23)c1
InChIInChI=1S/C19H20N2O/c1-13-16-8-3-4-9-17(16)21-11-10-20-18(19(13)21)14-6-5-7-15(12-14)22-2/h3-9,12,18,20H,10-11H2,1-2H3
InChIKeyGNDOKCKCXRNMKV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.65
Rot. Bonds2

About 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 15957467) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID15957467
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1cccc(C2NCCn3c2c(C)c2ccccc23)c1
InChIInChI=1S/C19H20N2O/c1-13-16-8-3-4-9-17(16)21-11-10-20-18(19(13)21)14-6-5-7-15(12-14)22-2/h3-9,12,18,20H,10-11H2,1-2H3
InChIKeyGNDOKCKCXRNMKV-UHFFFAOYSA-N
XLogP3.65
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 15957467) is 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is COc1cccc(C2NCCn3c2c(C)c2ccccc23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is GNDOKCKCXRNMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-16-8-3-4-9-17(16)21-11-10-20-18(19(13)21)14-6-5-7-15(12-14)22-2/h3-9,12,18,20H,10-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 292.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 15957467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).