4,4a-dihydroacridine

C13H11N — CID 154556089

IUPAC4,4a-dihydroacridine
SMILESC1=CCC2N=c3ccccc3=CC2=C1
InChIInChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-7,9,13H,8H2
InChIKeyLJJSUWABFKMUCP-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.36
Rot. Bonds

About 4,4a-dihydroacridine

4,4a-dihydroacridine (PubChem CID 154556089) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 4,4a-dihydroacridine.

Molecular Properties

Compound Name4,4a-dihydroacridine
PubChem CID154556089
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name4,4a-dihydroacridine
SMILESC1=CCC2N=c3ccccc3=CC2=C1
InChIInChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-7,9,13H,8H2
InChIKeyLJJSUWABFKMUCP-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydroacridine?
The IUPAC name of 4,4a-dihydroacridine (CID 154556089) is 4,4a-dihydroacridine.
What is the SMILES notation for 4,4a-dihydroacridine?
The canonical SMILES for 4,4a-dihydroacridine is C1=CCC2N=c3ccccc3=CC2=C1.
What is the InChIKey of 4,4a-dihydroacridine?
The InChIKey is LJJSUWABFKMUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-7,9,13H,8H2.
What are the key properties of 4,4a-dihydroacridine?
4,4a-dihydroacridine has a molecular weight of 181.24 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydroacridine is sourced from PubChem (CID 154556089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).