3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one

C11H15NO2 — CID 3013842

IUPAC3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one
SMILESCCOCc1ccc2n1CCCC2=O
InChIInChI=1S/C11H15NO2/c1-2-14-8-9-5-6-10-11(13)4-3-7-12(9)10/h5-6H,2-4,7-8H2,1H3
InChIKeyBOZPTHCSOXMEHQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds3

About 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one

3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one (PubChem CID 3013842) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one
PubChem CID3013842
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one
SMILESCCOCc1ccc2n1CCCC2=O
InChIInChI=1S/C11H15NO2/c1-2-14-8-9-5-6-10-11(13)4-3-7-12(9)10/h5-6H,2-4,7-8H2,1H3
InChIKeyBOZPTHCSOXMEHQ-UHFFFAOYSA-N
XLogP2.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one (CID 3013842) is 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one is CCOCc1ccc2n1CCCC2=O.
What is the InChIKey of 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is BOZPTHCSOXMEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-8-9-5-6-10-11(13)4-3-7-12(9)10/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one?
3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 193.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 3013842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).