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

C12H15NO2 — CID 86102467

IUPAC6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCc1cc2n(c(=O)c1C(C)=O)CCC2
InChIInChI=1S/C12H15NO2/c1-3-9-7-10-5-4-6-13(10)12(15)11(9)8(2)14/h7H,3-6H2,1-2H3
InChIKeyNTOBHWVCXFPRIP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.56
Rot. Bonds2

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

6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 86102467) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID86102467
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCCc1cc2n(c(=O)c1C(C)=O)CCC2
InChIInChI=1S/C12H15NO2/c1-3-9-7-10-5-4-6-13(10)12(15)11(9)8(2)14/h7H,3-6H2,1-2H3
InChIKeyNTOBHWVCXFPRIP-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

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one (CID 86102467) is 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one is CCc1cc2n(c(=O)c1C(C)=O)CCC2.
What is the InChIKey of 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is NTOBHWVCXFPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9-7-10-5-4-6-13(10)12(15)11(9)8(2)14/h7H,3-6H2,1-2H3.
What are the key properties of 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one?
6-acetyl-7-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 6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 86102467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).