prop-2-enyl 2-(1H-indol-3-yl)acetate

C13H13NO2 — CID 14701449

IUPACprop-2-enyl 2-(1H-indol-3-yl)acetate
SMILESC=CCOC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h2-6,9,14H,1,7-8H2
InChIKeyXTKFJRWDSCONFZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.44
Rot. Bonds4

About prop-2-enyl 2-(1H-indol-3-yl)acetate

prop-2-enyl 2-(1H-indol-3-yl)acetate (PubChem CID 14701449) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is prop-2-enyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(1H-indol-3-yl)acetate
PubChem CID14701449
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameprop-2-enyl 2-(1H-indol-3-yl)acetate
SMILESC=CCOC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h2-6,9,14H,1,7-8H2
InChIKeyXTKFJRWDSCONFZ-UHFFFAOYSA-N
XLogP2.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
CID 7006688
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9113975
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
2-(2-fluorophenyl)sulfanylethyl 2-(1H-indol-3-yl)acetate
CID 7960306
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
CID 18335849

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of prop-2-enyl 2-(1H-indol-3-yl)acetate (CID 14701449) is prop-2-enyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for prop-2-enyl 2-(1H-indol-3-yl)acetate is C=CCOC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of prop-2-enyl 2-(1H-indol-3-yl)acetate?
The InChIKey is XTKFJRWDSCONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-7-16-13(15)8-10-9-14-12-6-4-3-5-11(10)12/h2-6,9,14H,1,7-8H2.
What are the key properties of prop-2-enyl 2-(1H-indol-3-yl)acetate?
prop-2-enyl 2-(1H-indol-3-yl)acetate has a molecular weight of 215.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 14701449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).