ethyl 1-prop-2-enylindole-2-carboxylate

C14H15NO2 — CID 10398929

IUPACethyl 1-prop-2-enylindole-2-carboxylate
SMILESC=CCn1c(C(=O)OCC)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-3-9-15-12-8-6-5-7-11(12)10-13(15)14(16)17-4-2/h3,5-8,10H,1,4,9H2,2H3
InChIKeyBMPIYZCYCJBCDT-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.00
Rot. Bonds4

About ethyl 1-prop-2-enylindole-2-carboxylate

ethyl 1-prop-2-enylindole-2-carboxylate (PubChem CID 10398929) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 1-prop-2-enylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-prop-2-enylindole-2-carboxylate
PubChem CID10398929
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 1-prop-2-enylindole-2-carboxylate
SMILESC=CCn1c(C(=O)OCC)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-3-9-15-12-8-6-5-7-11(12)10-13(15)14(16)17-4-2/h3,5-8,10H,1,4,9H2,2H3
InChIKeyBMPIYZCYCJBCDT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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 ethyl 1-prop-2-enylindole-2-carboxylate?
The IUPAC name of ethyl 1-prop-2-enylindole-2-carboxylate (CID 10398929) is ethyl 1-prop-2-enylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-prop-2-enylindole-2-carboxylate?
The canonical SMILES for ethyl 1-prop-2-enylindole-2-carboxylate is C=CCn1c(C(=O)OCC)cc2ccccc21.
What is the InChIKey of ethyl 1-prop-2-enylindole-2-carboxylate?
The InChIKey is BMPIYZCYCJBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-9-15-12-8-6-5-7-11(12)10-13(15)14(16)17-4-2/h3,5-8,10H,1,4,9H2,2H3.
What are the key properties of ethyl 1-prop-2-enylindole-2-carboxylate?
ethyl 1-prop-2-enylindole-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-prop-2-enylindole-2-carboxylate is sourced from PubChem (CID 10398929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).