[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate

C16H20N2O3 — CID 24851127

IUPAC[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate
SMILESCC(=O)Oc1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-13(19)21-16-12-18(15-5-3-2-4-14(15)16)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3
InChIKeyWNJZFVIJUKGTLU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.90
Rot. Bonds4

About [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate

[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate (PubChem CID 24851127) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate
PubChem CID24851127
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate
SMILESCC(=O)Oc1cn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-13(19)21-16-12-18(15-5-3-2-4-14(15)16)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3
InChIKeyWNJZFVIJUKGTLU-UHFFFAOYSA-N
XLogP1.90
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate?
The IUPAC name of [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate (CID 24851127) is [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate.
What is the SMILES notation for [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate?
The canonical SMILES for [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate is CC(=O)Oc1cn(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate?
The InChIKey is WNJZFVIJUKGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-13(19)21-16-12-18(15-5-3-2-4-14(15)16)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3.
What are the key properties of [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate?
[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate has a molecular weight of 288.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylethyl)indol-3-yl] acetate is sourced from PubChem (CID 24851127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).