5-methoxy-1-methyl-2,3,4,7-tetrahydroindole

C10H15NO — CID 134906377

IUPAC5-methoxy-1-methyl-2,3,4,7-tetrahydroindole
SMILESCOC1=CCC2=C(CCN2C)C1
InChIInChI=1S/C10H15NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3H,4-7H2,1-2H3
InChIKeyHUVHJILCFDJWQC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.90
Rot. Bonds1

About 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole

5-methoxy-1-methyl-2,3,4,7-tetrahydroindole (PubChem CID 134906377) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole.

Molecular Properties

Compound Name5-methoxy-1-methyl-2,3,4,7-tetrahydroindole
PubChem CID134906377
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-methoxy-1-methyl-2,3,4,7-tetrahydroindole
SMILESCOC1=CCC2=C(CCN2C)C1
InChIInChI=1S/C10H15NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3H,4-7H2,1-2H3
InChIKeyHUVHJILCFDJWQC-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole?
The IUPAC name of 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole (CID 134906377) is 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole.
What is the SMILES notation for 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole?
The canonical SMILES for 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole is COC1=CCC2=C(CCN2C)C1.
What is the InChIKey of 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole?
The InChIKey is HUVHJILCFDJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3H,4-7H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole?
5-methoxy-1-methyl-2,3,4,7-tetrahydroindole has a molecular weight of 165.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2,3,4,7-tetrahydroindole is sourced from PubChem (CID 134906377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).