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

C19H19NO2 — CID 796695

IUPAC9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H19NO2/c21-15-10-4-8-13-18(15)17(12-6-2-1-3-7-12)19-14(20-13)9-5-11-16(19)22/h1-3,6-7,17,20H,4-5,8-11H2
InChIKeyOYPIMRRBVHIMLW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.39
Rot. Bonds1

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

9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 796695) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID796695
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H19NO2/c21-15-10-4-8-13-18(15)17(12-6-2-1-3-7-12)19-14(20-13)9-5-11-16(19)22/h1-3,6-7,17,20H,4-5,8-11H2
InChIKeyOYPIMRRBVHIMLW-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 796695) is 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is OYPIMRRBVHIMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-15-10-4-8-13-18(15)17(12-6-2-1-3-7-12)19-14(20-13)9-5-11-16(19)22/h1-3,6-7,17,20H,4-5,8-11H2.
What are the key properties of 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 293.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 796695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).