2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one

C16H19NO — CID 53362160

IUPAC2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCc1cccc2c(=O)c3c([nH]c12)CCC(C)(C)C3
InChIInChI=1S/C16H19NO/c1-10-5-4-6-11-14(10)17-13-7-8-16(2,3)9-12(13)15(11)18/h4-6H,7-9H2,1-3H3,(H,17,18)
InChIKeyQSWYNZGJSFJFAS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.35
Rot. Bonds

About 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one

2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one (PubChem CID 53362160) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one
PubChem CID53362160
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCc1cccc2c(=O)c3c([nH]c12)CCC(C)(C)C3
InChIInChI=1S/C16H19NO/c1-10-5-4-6-11-14(10)17-13-7-8-16(2,3)9-12(13)15(11)18/h4-6H,7-9H2,1-3H3,(H,17,18)
InChIKeyQSWYNZGJSFJFAS-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one (CID 53362160) is 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one is Cc1cccc2c(=O)c3c([nH]c12)CCC(C)(C)C3.
What is the InChIKey of 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
The InChIKey is QSWYNZGJSFJFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-5-4-6-11-14(10)17-13-7-8-16(2,3)9-12(13)15(11)18/h4-6H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one has a molecular weight of 241.33 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 53362160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).