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

C10H11NO2 — CID 15420999

IUPAC8-acetyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC(=O)c1ccc(=O)n2c1CCC2
InChIInChI=1S/C10H11NO2/c1-7(12)8-4-5-10(13)11-6-2-3-9(8)11/h4-5H,2-3,6H2,1H3
InChIKeyJSKHFASCAUEYSF-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.00
Rot. Bonds1

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

8-acetyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 15420999) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 8-acetyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-acetyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID15420999
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name8-acetyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC(=O)c1ccc(=O)n2c1CCC2
InChIInChI=1S/C10H11NO2/c1-7(12)8-4-5-10(13)11-6-2-3-9(8)11/h4-5H,2-3,6H2,1H3
InChIKeyJSKHFASCAUEYSF-UHFFFAOYSA-N
XLogP1.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydro-1-methyl-1H-indole-5,6-dione
CID 12309613
2,3-Dihydro-1,5-indolizinedione
CID 83815301
2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 122633271
1,1-Difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
CID 122633273
8-Ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 126611910
1-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
CID 141282360
6-Methyl-1-(2-methylpropyl)-5-(2,2,2-trifluoroacetyl)pyridin-2-one
CID 172415027
6-Methyl-1-propyl-5-(2,2,2-trifluoroacetyl)pyridin-2-one
CID 172415030
6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one
CID 86102467
7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one
CID 86102469

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-acetyl-2,3-dihydro-1H-indolizin-5-one (CID 15420999) is 8-acetyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-acetyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-acetyl-2,3-dihydro-1H-indolizin-5-one is CC(=O)c1ccc(=O)n2c1CCC2.
What is the InChIKey of 8-acetyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is JSKHFASCAUEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)8-4-5-10(13)11-6-2-3-9(8)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 8-acetyl-2,3-dihydro-1H-indolizin-5-one?
8-acetyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 177.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 15420999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).