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

C14H17NO2 — CID 11680238

IUPAC9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESCC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-8-13-9(4-2-6-11(13)16)15-10-5-3-7-12(17)14(8)10/h8,15H,2-7H2,1H3
InChIKeyWBQUWBKOVQJGNJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.24
Rot. Bonds

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

9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 11680238) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID11680238
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESCC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-8-13-9(4-2-6-11(13)16)15-10-5-3-7-12(17)14(8)10/h8,15H,2-7H2,1H3
InChIKeyWBQUWBKOVQJGNJ-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 11680238) is 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is CC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is WBQUWBKOVQJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-13-9(4-2-6-11(13)16)15-10-5-3-7-12(17)14(8)10/h8,15H,2-7H2,1H3.
What are the key properties of 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 231.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 11680238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).