7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one

C12H15NO2 — CID 86102469

IUPAC7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCc1c(C(C)=O)cc2n(c1=O)CCC2
InChIInChI=1S/C12H15NO2/c1-3-10-11(8(2)14)7-9-5-4-6-13(9)12(10)15/h7H,3-6H2,1-2H3
InChIKeyGOIUCAFZWHXZEO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.56
Rot. Bonds2

About 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one

7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 86102469) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID86102469
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCc1c(C(C)=O)cc2n(c1=O)CCC2
InChIInChI=1S/C12H15NO2/c1-3-10-11(8(2)14)7-9-5-4-6-13(9)12(10)15/h7H,3-6H2,1-2H3
InChIKeyGOIUCAFZWHXZEO-UHFFFAOYSA-N
XLogP1.56
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
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
1,1-Difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122633859
6-Fluoro-1-propan-2-yl-5,6-dihydroindole-2,3-dione
CID 123566694
8-Ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 126611910
1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 145172225
8-acetyl-2,3-dihydro-1H-indolizin-5-one
CID 15420999

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one (CID 86102469) is 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one is CCc1c(C(C)=O)cc2n(c1=O)CCC2.
What is the InChIKey of 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is GOIUCAFZWHXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10-11(8(2)14)7-9-5-4-6-13(9)12(10)15/h7H,3-6H2,1-2H3.
What are the key properties of 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one?
7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 86102469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).