3-(2-ethylselanylethyl)-4-methoxy-1H-indole

C13H17NOSe — CID 167475252

IUPAC3-(2-ethylselanylethyl)-4-methoxy-1H-indole
SMILESCC[Se]CCc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C13H17NOSe/c1-3-16-8-7-10-9-14-11-5-4-6-12(15-2)13(10)11/h4-6,9,14H,3,7-8H2,1-2H3
InChIKeyVWUPGGRAWRJIFF-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.28
Rot. Bonds5

About 3-(2-ethylselanylethyl)-4-methoxy-1H-indole

3-(2-ethylselanylethyl)-4-methoxy-1H-indole (PubChem CID 167475252) has the molecular formula C13H17NOSe and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-(2-ethylselanylethyl)-4-methoxy-1H-indole.

Molecular Properties

Compound Name3-(2-ethylselanylethyl)-4-methoxy-1H-indole
PubChem CID167475252
Molecular FormulaC13H17NOSe
Molecular Weight282.25 g/mol
Exact Mass283.05
IUPAC Name3-(2-ethylselanylethyl)-4-methoxy-1H-indole
SMILESCC[Se]CCc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C13H17NOSe/c1-3-16-8-7-10-9-14-11-5-4-6-12(15-2)13(10)11/h4-6,9,14H,3,7-8H2,1-2H3
InChIKeyVWUPGGRAWRJIFF-UHFFFAOYSA-N
XLogP3.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 163558839
3-fluoro-4-methoxy-1H-indole
CID 162696038
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
CID 133452791
4-ethoxy-3-ethyl-1H-indole
CID 171816854
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
CID 126803059
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 170305481

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylselanylethyl)-4-methoxy-1H-indole?
The IUPAC name of 3-(2-ethylselanylethyl)-4-methoxy-1H-indole (CID 167475252) is 3-(2-ethylselanylethyl)-4-methoxy-1H-indole.
What is the SMILES notation for 3-(2-ethylselanylethyl)-4-methoxy-1H-indole?
The canonical SMILES for 3-(2-ethylselanylethyl)-4-methoxy-1H-indole is CC[Se]CCc1c[nH]c2cccc(OC)c12.
What is the InChIKey of 3-(2-ethylselanylethyl)-4-methoxy-1H-indole?
The InChIKey is VWUPGGRAWRJIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSe/c1-3-16-8-7-10-9-14-11-5-4-6-12(15-2)13(10)11/h4-6,9,14H,3,7-8H2,1-2H3.
What are the key properties of 3-(2-ethylselanylethyl)-4-methoxy-1H-indole?
3-(2-ethylselanylethyl)-4-methoxy-1H-indole has a molecular weight of 282.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylselanylethyl)-4-methoxy-1H-indole is sourced from PubChem (CID 167475252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).