ethane;ethyl 2-(3-ethenylindol-1-yl)acetate

C16H21NO2 — CID 145169068

IUPACethane;ethyl 2-(3-ethenylindol-1-yl)acetate
SMILESC=Cc1cn(CC(=O)OCC)c2ccccc12.CC
InChIInChI=1S/C14H15NO2.C2H6/c1-3-11-9-15(10-14(16)17-4-2)13-8-6-5-7-12(11)13;1-2/h3,5-9H,1,4,10H2,2H3;1-2H3
InChIKeyFUBOXZMGLYNLGZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.87
Rot. Bonds4

About ethane;ethyl 2-(3-ethenylindol-1-yl)acetate

ethane;ethyl 2-(3-ethenylindol-1-yl)acetate (PubChem CID 145169068) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethane;ethyl 2-(3-ethenylindol-1-yl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(3-ethenylindol-1-yl)acetate
PubChem CID145169068
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethane;ethyl 2-(3-ethenylindol-1-yl)acetate
SMILESC=Cc1cn(CC(=O)OCC)c2ccccc12.CC
InChIInChI=1S/C14H15NO2.C2H6/c1-3-11-9-15(10-14(16)17-4-2)13-8-6-5-7-12(11)13;1-2/h3,5-9H,1,4,10H2,2H3;1-2H3
InChIKeyFUBOXZMGLYNLGZ-UHFFFAOYSA-N
XLogP3.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;ethyl 2-(3-ethenylindol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetate bromide
CID 12614677
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
ethyl 2-[3-[(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate
CID 2920880
ethyl 2-[3-(2,2-dicyanoethenyl)-4-oxoquinolin-1-yl]acetate
CID 135010121
ethyl 2-[3-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126353149
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126368555
ethyl 2-[3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate
CID 3890146
ethyl 2-[3-[(E)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate
CID 126028191
ethyl 2-[3-[(Z)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]indol-1-yl]acetate
CID 126103370
ethyl (2R)-2-[(5E)-5-[[1-(2-ethoxy-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126017557

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(3-ethenylindol-1-yl)acetate?
The IUPAC name of ethane;ethyl 2-(3-ethenylindol-1-yl)acetate (CID 145169068) is ethane;ethyl 2-(3-ethenylindol-1-yl)acetate.
What is the SMILES notation for ethane;ethyl 2-(3-ethenylindol-1-yl)acetate?
The canonical SMILES for ethane;ethyl 2-(3-ethenylindol-1-yl)acetate is C=Cc1cn(CC(=O)OCC)c2ccccc12.CC.
What is the InChIKey of ethane;ethyl 2-(3-ethenylindol-1-yl)acetate?
The InChIKey is FUBOXZMGLYNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.C2H6/c1-3-11-9-15(10-14(16)17-4-2)13-8-6-5-7-12(11)13;1-2/h3,5-9H,1,4,10H2,2H3;1-2H3.
What are the key properties of ethane;ethyl 2-(3-ethenylindol-1-yl)acetate?
ethane;ethyl 2-(3-ethenylindol-1-yl)acetate has a molecular weight of 259.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(3-ethenylindol-1-yl)acetate is sourced from PubChem (CID 145169068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).