5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine

C16H24N2O2 — CID 169244425

IUPAC5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine
SMILESCN1CCCC1.COc1cc2[nH]cc(C)c2cc1OC
InChIInChI=1S/C11H13NO2.C5H11N/c1-7-6-12-9-5-11(14-3)10(13-2)4-8(7)9;1-6-4-2-3-5-6/h4-6,12H,1-3H3;2-5H2,1H3
InChIKeyWAZXBJMILCCAHS-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds2

About 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine

5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine (PubChem CID 169244425) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine.

Molecular Properties

Compound Name5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine
PubChem CID169244425
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine
SMILESCN1CCCC1.COc1cc2[nH]cc(C)c2cc1OC
InChIInChI=1S/C11H13NO2.C5H11N/c1-7-6-12-9-5-11(14-3)10(13-2)4-8(7)9;1-6-4-2-3-5-6/h4-6,12H,1-3H3;2-5H2,1H3
InChIKeyWAZXBJMILCCAHS-UHFFFAOYSA-N
XLogP3.21
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine?
The IUPAC name of 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine (CID 169244425) is 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine.
What is the SMILES notation for 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine?
The canonical SMILES for 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine is CN1CCCC1.COc1cc2[nH]cc(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine?
The InChIKey is WAZXBJMILCCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C5H11N/c1-7-6-12-9-5-11(14-3)10(13-2)4-8(7)9;1-6-4-2-3-5-6/h4-6,12H,1-3H3;2-5H2,1H3.
What are the key properties of 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine?
5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine has a molecular weight of 276.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-methyl-1H-indole;1-methylpyrrolidine is sourced from PubChem (CID 169244425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).