5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one

C15H17NO — CID 14665450

IUPAC5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCc1cc(C)c2[nH]c3c(c(=O)c2c1)CCCC3
InChIInChI=1S/C15H17NO/c1-9-7-10(2)14-12(8-9)15(17)11-5-3-4-6-13(11)16-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyLRPGFDJZDUMOQN-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.02
Rot. Bonds

About 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one

5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 14665450) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID14665450
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCc1cc(C)c2[nH]c3c(c(=O)c2c1)CCCC3
InChIInChI=1S/C15H17NO/c1-9-7-10(2)14-12(8-9)15(17)11-5-3-4-6-13(11)16-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyLRPGFDJZDUMOQN-UHFFFAOYSA-N
XLogP3.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 14665450) is 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one is Cc1cc(C)c2[nH]c3c(c(=O)c2c1)CCCC3.
What is the InChIKey of 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is LRPGFDJZDUMOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-9-7-10(2)14-12(8-9)15(17)11-5-3-4-6-13(11)16-14/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 227.31 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 14665450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).