ethyl 3-indolizin-2-ylpropanoate

C13H15NO2 — CID 58034228

IUPACethyl 3-indolizin-2-ylpropanoate
SMILESCCOC(=O)CCc1cc2ccccn2c1
InChIInChI=1S/C13H15NO2/c1-2-16-13(15)7-6-11-9-12-5-3-4-8-14(12)10-11/h3-5,8-10H,2,6-7H2,1H3
InChIKeyXRATUTILFUQWTN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.43
Rot. Bonds4

About ethyl 3-indolizin-2-ylpropanoate

ethyl 3-indolizin-2-ylpropanoate (PubChem CID 58034228) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 3-indolizin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-indolizin-2-ylpropanoate
PubChem CID58034228
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 3-indolizin-2-ylpropanoate
SMILESCCOC(=O)CCc1cc2ccccn2c1
InChIInChI=1S/C13H15NO2/c1-2-16-13(15)7-6-11-9-12-5-3-4-8-14(12)10-11/h3-5,8-10H,2,6-7H2,1H3
InChIKeyXRATUTILFUQWTN-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(indolizine-2-carbonylamino)acetate
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(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
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ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
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ethyl 3-(3-propan-2-ylphenyl)propanoate
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ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-indolizin-2-ylpropanoate?
The IUPAC name of ethyl 3-indolizin-2-ylpropanoate (CID 58034228) is ethyl 3-indolizin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-indolizin-2-ylpropanoate?
The canonical SMILES for ethyl 3-indolizin-2-ylpropanoate is CCOC(=O)CCc1cc2ccccn2c1.
What is the InChIKey of ethyl 3-indolizin-2-ylpropanoate?
The InChIKey is XRATUTILFUQWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-16-13(15)7-6-11-9-12-5-3-4-8-14(12)10-11/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of ethyl 3-indolizin-2-ylpropanoate?
ethyl 3-indolizin-2-ylpropanoate has a molecular weight of 217.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-indolizin-2-ylpropanoate is sourced from PubChem (CID 58034228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).