2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one

C16H19NO — CID 53362162

IUPAC2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCc1ccc2[nH]c3c(c(=O)c2c1)CC(C)(C)CC3
InChIInChI=1S/C16H19NO/c1-10-4-5-13-11(8-10)15(18)12-9-16(2,3)7-6-14(12)17-13/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyULCVTKGPWHHVFP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.35
Rot. Bonds

About 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one

2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one (PubChem CID 53362162) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one
PubChem CID53362162
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCc1ccc2[nH]c3c(c(=O)c2c1)CC(C)(C)CC3
InChIInChI=1S/C16H19NO/c1-10-4-5-13-11(8-10)15(18)12-9-16(2,3)7-6-14(12)17-13/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyULCVTKGPWHHVFP-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 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one (CID 53362162) is 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one is Cc1ccc2[nH]c3c(c(=O)c2c1)CC(C)(C)CC3.
What is the InChIKey of 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
The InChIKey is ULCVTKGPWHHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-4-5-13-11(8-10)15(18)12-9-16(2,3)7-6-14(12)17-13/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one?
2,2,7-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 2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 53362162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).