8-propanoyl-2,3-dihydro-1H-indolizin-5-one

C11H13NO2 — CID 123940299

IUPAC8-propanoyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCC(=O)c1ccc(=O)n2c1CCC2
InChIInChI=1S/C11H13NO2/c1-2-10(13)8-5-6-11(14)12-7-3-4-9(8)12/h5-6H,2-4,7H2,1H3
InChIKeyIHFMPUADJMVTAK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.39
Rot. Bonds2

About 8-propanoyl-2,3-dihydro-1H-indolizin-5-one

8-propanoyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 123940299) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-propanoyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-propanoyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID123940299
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name8-propanoyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCC(=O)c1ccc(=O)n2c1CCC2
InChIInChI=1S/C11H13NO2/c1-2-10(13)8-5-6-11(14)12-7-3-4-9(8)12/h5-6H,2-4,7H2,1H3
InChIKeyIHFMPUADJMVTAK-UHFFFAOYSA-N
XLogP1.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propanoyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-propanoyl-2,3-dihydro-1H-indolizin-5-one (CID 123940299) is 8-propanoyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-propanoyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-propanoyl-2,3-dihydro-1H-indolizin-5-one is CCC(=O)c1ccc(=O)n2c1CCC2.
What is the InChIKey of 8-propanoyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is IHFMPUADJMVTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-10(13)8-5-6-11(14)12-7-3-4-9(8)12/h5-6H,2-4,7H2,1H3.
What are the key properties of 8-propanoyl-2,3-dihydro-1H-indolizin-5-one?
8-propanoyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propanoyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 123940299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).