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

C13H11NO3 — CID 15093890

IUPACprop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
SMILESC=CCOC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H11NO3/c1-2-7-17-13(16)12(15)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2
InChIKeyZGHZPGSSNKJIDI-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.08
Rot. Bonds4

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

prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate (PubChem CID 15093890) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
PubChem CID15093890
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Nameprop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
SMILESC=CCOC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H11NO3/c1-2-7-17-13(16)12(15)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2
InChIKeyZGHZPGSSNKJIDI-UHFFFAOYSA-N
XLogP2.08
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2Z)-2-hydroxyimino-2-(1H-indol-3-yl)acetate
CID 135762588
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
CID 7006688
N-ethyl-2-(1H-indol-3-yl)-2-oxo-N-prop-2-enylacetamide
CID 18884826
sodium 1H-indole-3-carboxylate
CID 23698293
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate?
The IUPAC name of prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate (CID 15093890) is prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate.
What is the SMILES notation for prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate?
The canonical SMILES for prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate is C=CCOC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate?
The InChIKey is ZGHZPGSSNKJIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-2-7-17-13(16)12(15)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2.
What are the key properties of prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate?
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate has a molecular weight of 229.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 15093890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).