4a,9a-dihydroacridine

C13H11N — CID 89376300

IUPAC4a,9a-dihydroacridine
SMILESC1=CC2C=c3ccccc3=NC2C=C1
InChIInChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10,12H
InChIKeyPJMIGRPUFURVPK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.21
Rot. Bonds

About 4a,9a-dihydroacridine

4a,9a-dihydroacridine (PubChem CID 89376300) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 4a,9a-dihydroacridine.

Molecular Properties

Compound Name4a,9a-dihydroacridine
PubChem CID89376300
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name4a,9a-dihydroacridine
SMILESC1=CC2C=c3ccccc3=NC2C=C1
InChIInChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10,12H
InChIKeyPJMIGRPUFURVPK-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4a,9a-dihydroacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4a,9a-dihydroacridine?
The IUPAC name of 4a,9a-dihydroacridine (CID 89376300) is 4a,9a-dihydroacridine.
What is the SMILES notation for 4a,9a-dihydroacridine?
The canonical SMILES for 4a,9a-dihydroacridine is C1=CC2C=c3ccccc3=NC2C=C1.
What is the InChIKey of 4a,9a-dihydroacridine?
The InChIKey is PJMIGRPUFURVPK-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/h1-10,12H.
What are the key properties of 4a,9a-dihydroacridine?
4a,9a-dihydroacridine has a molecular weight of 181.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9a-dihydroacridine is sourced from PubChem (CID 89376300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).