3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

C17H23NO2 — CID 6931158

IUPAC3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2CC3=C(CC(C)(C)CC3=O)N=C2C1
InChIInChI=1S/C17H23NO2/c1-16(2)6-12-10(14(19)8-16)5-11-13(18-12)7-17(3,4)9-15(11)20/h10H,5-9H2,1-4H3
InChIKeyWJQHMJFQUXFEIW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.48
Rot. Bonds

About 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (PubChem CID 6931158) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
PubChem CID6931158
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2CC3=C(CC(C)(C)CC3=O)N=C2C1
InChIInChI=1S/C17H23NO2/c1-16(2)6-12-10(14(19)8-16)5-11-13(18-12)7-17(3,4)9-15(11)20/h10H,5-9H2,1-4H3
InChIKeyWJQHMJFQUXFEIW-UHFFFAOYSA-N
XLogP3.48
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (CID 6931158) is 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is CC1(C)CC(=O)C2CC3=C(CC(C)(C)CC3=O)N=C2C1.
What is the InChIKey of 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The InChIKey is WJQHMJFQUXFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2)6-12-10(14(19)8-16)5-11-13(18-12)7-17(3,4)9-15(11)20/h10H,5-9H2,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione has a molecular weight of 273.38 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is sourced from PubChem (CID 6931158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).