2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one

C13H15NO — CID 19707352

IUPAC2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
SMILESO=C1C2C=CC=CC2NC2C=CCCC12
InChIInChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3-5,7-12,14H,2,6H2
InChIKeyFEJLDPLMCKKZAZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.60
Rot. Bonds

About 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one

2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one (PubChem CID 19707352) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one.

Molecular Properties

Compound Name2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
PubChem CID19707352
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
SMILESO=C1C2C=CC=CC2NC2C=CCCC12
InChIInChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3-5,7-12,14H,2,6H2
InChIKeyFEJLDPLMCKKZAZ-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one?
The IUPAC name of 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one (CID 19707352) is 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one.
What is the SMILES notation for 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one?
The canonical SMILES for 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one is O=C1C2C=CC=CC2NC2C=CCCC12.
What is the InChIKey of 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one?
The InChIKey is FEJLDPLMCKKZAZ-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/h1,3-5,7-12,14H,2,6H2.
What are the key properties of 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one?
2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one has a molecular weight of 201.27 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one is sourced from PubChem (CID 19707352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).