10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C17H23NO2 — CID 21018870

IUPAC10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCC(C)C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2
InChIInChI=1S/C17H23NO2/c1-10(2)15-16-11(6-4-8-13(16)19)18(3)12-7-5-9-14(20)17(12)15/h10,15H,4-9H2,1-3H3
InChIKeyYLUAACDMBFKTEX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.22
Rot. Bonds1

About 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 21018870) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID21018870
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCC(C)C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2
InChIInChI=1S/C17H23NO2/c1-10(2)15-16-11(6-4-8-13(16)19)18(3)12-7-5-9-14(20)17(12)15/h10,15H,4-9H2,1-3H3
InChIKeyYLUAACDMBFKTEX-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 21018870) is 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CC(C)C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2.
What is the InChIKey of 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is YLUAACDMBFKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10(2)15-16-11(6-4-8-13(16)19)18(3)12-7-5-9-14(20)17(12)15/h10,15H,4-9H2,1-3H3.
What are the key properties of 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 273.38 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 21018870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).