ethyl 7-prop-2-enyl-1H-indole-2-carboxylate

C14H15NO2 — CID 10398931

IUPACethyl 7-prop-2-enyl-1H-indole-2-carboxylate
SMILESC=CCc1cccc2cc(C(=O)OCC)[nH]c12
InChIInChI=1S/C14H15NO2/c1-3-6-10-7-5-8-11-9-12(15-13(10)11)14(16)17-4-2/h3,5,7-9,15H,1,4,6H2,2H3
InChIKeyOMZYUEOENMVJLC-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.07
Rot. Bonds4

About ethyl 7-prop-2-enyl-1H-indole-2-carboxylate

ethyl 7-prop-2-enyl-1H-indole-2-carboxylate (PubChem CID 10398931) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 7-prop-2-enyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-prop-2-enyl-1H-indole-2-carboxylate
PubChem CID10398931
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 7-prop-2-enyl-1H-indole-2-carboxylate
SMILESC=CCc1cccc2cc(C(=O)OCC)[nH]c12
InChIInChI=1S/C14H15NO2/c1-3-6-10-7-5-8-11-9-12(15-13(10)11)14(16)17-4-2/h3,5,7-9,15H,1,4,6H2,2H3
InChIKeyOMZYUEOENMVJLC-UHFFFAOYSA-N
XLogP3.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethyl 7-prop-2-enyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-prop-2-enyl-1H-indole-2-carboxylate (CID 10398931) is ethyl 7-prop-2-enyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-prop-2-enyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-prop-2-enyl-1H-indole-2-carboxylate is C=CCc1cccc2cc(C(=O)OCC)[nH]c12.
What is the InChIKey of ethyl 7-prop-2-enyl-1H-indole-2-carboxylate?
The InChIKey is OMZYUEOENMVJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-6-10-7-5-8-11-9-12(15-13(10)11)14(16)17-4-2/h3,5,7-9,15H,1,4,6H2,2H3.
What are the key properties of ethyl 7-prop-2-enyl-1H-indole-2-carboxylate?
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-prop-2-enyl-1H-indole-2-carboxylate is sourced from PubChem (CID 10398931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).