2-(dimethoxymethyl)-3-ethyl-1H-indole

C13H17NO2 — CID 134907125

IUPAC2-(dimethoxymethyl)-3-ethyl-1H-indole
SMILESCCc1c(C(OC)OC)[nH]c2ccccc12
InChIInChI=1S/C13H17NO2/c1-4-9-10-7-5-6-8-11(10)14-12(9)13(15-2)16-3/h5-8,13-14H,4H2,1-3H3
InChIKeySYUFRYXGDTXCPR-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.02
Rot. Bonds4

About 2-(dimethoxymethyl)-3-ethyl-1H-indole

2-(dimethoxymethyl)-3-ethyl-1H-indole (PubChem CID 134907125) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-ethyl-1H-indole.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-ethyl-1H-indole
PubChem CID134907125
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(dimethoxymethyl)-3-ethyl-1H-indole
SMILESCCc1c(C(OC)OC)[nH]c2ccccc12
InChIInChI=1S/C13H17NO2/c1-4-9-10-7-5-6-8-11(10)14-12(9)13(15-2)16-3/h5-8,13-14H,4H2,1-3H3
InChIKeySYUFRYXGDTXCPR-UHFFFAOYSA-N
XLogP3.02
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.02
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)-3-ethyl-1H-indole?
The IUPAC name of 2-(dimethoxymethyl)-3-ethyl-1H-indole (CID 134907125) is 2-(dimethoxymethyl)-3-ethyl-1H-indole.
What is the SMILES notation for 2-(dimethoxymethyl)-3-ethyl-1H-indole?
The canonical SMILES for 2-(dimethoxymethyl)-3-ethyl-1H-indole is CCc1c(C(OC)OC)[nH]c2ccccc12.
What is the InChIKey of 2-(dimethoxymethyl)-3-ethyl-1H-indole?
The InChIKey is SYUFRYXGDTXCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-9-10-7-5-6-8-11(10)14-12(9)13(15-2)16-3/h5-8,13-14H,4H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-3-ethyl-1H-indole?
2-(dimethoxymethyl)-3-ethyl-1H-indole has a molecular weight of 219.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-ethyl-1H-indole is sourced from PubChem (CID 134907125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).