but-2-enyl 2-indol-1-ylacetate

C14H15NO2 — CID 103598369

IUPACbut-2-enyl 2-indol-1-ylacetate
SMILESCC=CCOC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C14H15NO2/c1-2-3-10-17-14(16)11-15-9-8-12-6-4-5-7-13(12)15/h2-9H,10-11H2,1H3
InChIKeyYLVGITHUMWSIAF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.76
Rot. Bonds4

About but-2-enyl 2-indol-1-ylacetate

but-2-enyl 2-indol-1-ylacetate (PubChem CID 103598369) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is but-2-enyl 2-indol-1-ylacetate.

Molecular Properties

Compound Namebut-2-enyl 2-indol-1-ylacetate
PubChem CID103598369
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namebut-2-enyl 2-indol-1-ylacetate
SMILESCC=CCOC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C14H15NO2/c1-2-3-10-17-14(16)11-15-9-8-12-6-4-5-7-13(12)15/h2-9H,10-11H2,1H3
InChIKeyYLVGITHUMWSIAF-UHFFFAOYSA-N
XLogP2.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-enyl 2-indol-1-ylacetate?
The IUPAC name of but-2-enyl 2-indol-1-ylacetate (CID 103598369) is but-2-enyl 2-indol-1-ylacetate.
What is the SMILES notation for but-2-enyl 2-indol-1-ylacetate?
The canonical SMILES for but-2-enyl 2-indol-1-ylacetate is CC=CCOC(=O)Cn1ccc2ccccc21.
What is the InChIKey of but-2-enyl 2-indol-1-ylacetate?
The InChIKey is YLVGITHUMWSIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-10-17-14(16)11-15-9-8-12-6-4-5-7-13(12)15/h2-9H,10-11H2,1H3.
What are the key properties of but-2-enyl 2-indol-1-ylacetate?
but-2-enyl 2-indol-1-ylacetate has a molecular weight of 229.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl 2-indol-1-ylacetate is sourced from PubChem (CID 103598369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).