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

C15H19NO2 — CID 86186685

IUPAC9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCC1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2
InChIInChI=1S/C15H19NO2/c1-9-14-10(5-3-7-12(14)17)16(2)11-6-4-8-13(18)15(9)11/h9H,3-8H2,1-2H3
InChIKeyNIXGKQLJEJCSOV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.58
Rot. Bonds

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

9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 86186685) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID86186685
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCC1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2
InChIInChI=1S/C15H19NO2/c1-9-14-10(5-3-7-12(14)17)16(2)11-6-4-8-13(18)15(9)11/h9H,3-8H2,1-2H3
InChIKeyNIXGKQLJEJCSOV-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 86186685) is 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CC1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2.
What is the InChIKey of 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is NIXGKQLJEJCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-14-10(5-3-7-12(14)17)16(2)11-6-4-8-13(18)15(9)11/h9H,3-8H2,1-2H3.
What are the key properties of 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 245.32 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 86186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).