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

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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).