9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C15H19NO2 — CID 2729057

IUPAC9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESCCC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C15H19NO2/c1-2-9-14-10(5-3-7-12(14)17)16-11-6-4-8-13(18)15(9)11/h9,16H,2-8H2,1H3
InChIKeyRPJJUPDGJSZQET-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.63
Rot. Bonds1

About 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 2729057) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID2729057
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESCCC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C15H19NO2/c1-2-9-14-10(5-3-7-12(14)17)16-11-6-4-8-13(18)15(9)11/h9,16H,2-8H2,1H3
InChIKeyRPJJUPDGJSZQET-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 2729057) is 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is CCC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is RPJJUPDGJSZQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-9-14-10(5-3-7-12(14)17)16-11-6-4-8-13(18)15(9)11/h9,16H,2-8H2,1H3.
What are the key properties of 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 245.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 2729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).