2,3,4,5,6,7-hexahydro-1H-acridin-9-one

C13H15NO — CID 178178485

IUPAC2,3,4,5,6,7-hexahydro-1H-acridin-9-one
SMILESO=C1C2=CCCCC2=NC2=C1CCCC2
InChIInChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h5H,1-4,6-8H2
InChIKeyBUJCZGASDSLTLI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.95
Rot. Bonds

About 2,3,4,5,6,7-hexahydro-1H-acridin-9-one

2,3,4,5,6,7-hexahydro-1H-acridin-9-one (PubChem CID 178178485) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydro-1H-acridin-9-one.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydro-1H-acridin-9-one
PubChem CID178178485
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,3,4,5,6,7-hexahydro-1H-acridin-9-one
SMILESO=C1C2=CCCCC2=NC2=C1CCCC2
InChIInChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h5H,1-4,6-8H2
InChIKeyBUJCZGASDSLTLI-UHFFFAOYSA-N
XLogP2.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydro-1H-acridin-9-one?
The IUPAC name of 2,3,4,5,6,7-hexahydro-1H-acridin-9-one (CID 178178485) is 2,3,4,5,6,7-hexahydro-1H-acridin-9-one.
What is the SMILES notation for 2,3,4,5,6,7-hexahydro-1H-acridin-9-one?
The canonical SMILES for 2,3,4,5,6,7-hexahydro-1H-acridin-9-one is O=C1C2=CCCCC2=NC2=C1CCCC2.
What is the InChIKey of 2,3,4,5,6,7-hexahydro-1H-acridin-9-one?
The InChIKey is BUJCZGASDSLTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h5H,1-4,6-8H2.
What are the key properties of 2,3,4,5,6,7-hexahydro-1H-acridin-9-one?
2,3,4,5,6,7-hexahydro-1H-acridin-9-one has a molecular weight of 201.27 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydro-1H-acridin-9-one is sourced from PubChem (CID 178178485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).