8a-ethyl-3-phenylindolizin-1-one

C16H15NO — CID 23628663

IUPAC8a-ethyl-3-phenylindolizin-1-one
SMILESCCC12C=CC=CN1C(c1ccccc1)=CC2=O
InChIInChI=1S/C16H15NO/c1-2-16-10-6-7-11-17(16)14(12-15(16)18)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyGRYLNDNJKZEPSJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.14
Rot. Bonds2

About 8a-ethyl-3-phenylindolizin-1-one

8a-ethyl-3-phenylindolizin-1-one (PubChem CID 23628663) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 8a-ethyl-3-phenylindolizin-1-one.

Molecular Properties

Compound Name8a-ethyl-3-phenylindolizin-1-one
PubChem CID23628663
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name8a-ethyl-3-phenylindolizin-1-one
SMILESCCC12C=CC=CN1C(c1ccccc1)=CC2=O
InChIInChI=1S/C16H15NO/c1-2-16-10-6-7-11-17(16)14(12-15(16)18)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyGRYLNDNJKZEPSJ-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-3-phenylindolizin-1-one?
The IUPAC name of 8a-ethyl-3-phenylindolizin-1-one (CID 23628663) is 8a-ethyl-3-phenylindolizin-1-one.
What is the SMILES notation for 8a-ethyl-3-phenylindolizin-1-one?
The canonical SMILES for 8a-ethyl-3-phenylindolizin-1-one is CCC12C=CC=CN1C(c1ccccc1)=CC2=O.
What is the InChIKey of 8a-ethyl-3-phenylindolizin-1-one?
The InChIKey is GRYLNDNJKZEPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-16-10-6-7-11-17(16)14(12-15(16)18)13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of 8a-ethyl-3-phenylindolizin-1-one?
8a-ethyl-3-phenylindolizin-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-3-phenylindolizin-1-one is sourced from PubChem (CID 23628663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).