2-(dimethoxymethyl)-1H-indole

C11H13NO2 — CID 10631573

IUPAC2-(dimethoxymethyl)-1H-indole
SMILESCOC(OC)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NO2/c1-13-11(14-2)10-7-8-5-3-4-6-9(8)12-10/h3-7,11-12H,1-2H3
InChIKeyRDVZIDVGWFTYPL-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.46
Rot. Bonds3

About 2-(dimethoxymethyl)-1H-indole

2-(dimethoxymethyl)-1H-indole (PubChem CID 10631573) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1H-indole.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1H-indole
PubChem CID10631573
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(dimethoxymethyl)-1H-indole
SMILESCOC(OC)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NO2/c1-13-11(14-2)10-7-8-5-3-4-6-9(8)12-10/h3-7,11-12H,1-2H3
InChIKeyRDVZIDVGWFTYPL-UHFFFAOYSA-N
XLogP2.46
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1H-indole?
The IUPAC name of 2-(dimethoxymethyl)-1H-indole (CID 10631573) is 2-(dimethoxymethyl)-1H-indole.
What is the SMILES notation for 2-(dimethoxymethyl)-1H-indole?
The canonical SMILES for 2-(dimethoxymethyl)-1H-indole is COC(OC)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(dimethoxymethyl)-1H-indole?
The InChIKey is RDVZIDVGWFTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-11(14-2)10-7-8-5-3-4-6-9(8)12-10/h3-7,11-12H,1-2H3.
What are the key properties of 2-(dimethoxymethyl)-1H-indole?
2-(dimethoxymethyl)-1H-indole has a molecular weight of 191.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1H-indole is sourced from PubChem (CID 10631573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).