9-deuterio-9,10-dihydroacridine

C13H11N — CID 100991515

IUPAC9-deuterio-9,10-dihydroacridine
SMILES[2H]C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2/i9D
InChIKeyHJCUTNIGJHJGCF-QOWOAITPSA-N
MW182.24 g/mol
LogP3.33
Rot. Bonds

About 9-deuterio-9,10-dihydroacridine

9-deuterio-9,10-dihydroacridine (PubChem CID 100991515) has the molecular formula C13H11N and a molecular weight of 182.24 g/mol. Its IUPAC name is 9-deuterio-9,10-dihydroacridine.

Molecular Properties

Compound Name9-deuterio-9,10-dihydroacridine
PubChem CID100991515
Molecular FormulaC13H11N
Molecular Weight182.24 g/mol
Exact Mass182.10
IUPAC Name9-deuterio-9,10-dihydroacridine
SMILES[2H]C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2/i9D
InChIKeyHJCUTNIGJHJGCF-QOWOAITPSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-deuterio-9,10-dihydroacridine?
The IUPAC name of 9-deuterio-9,10-dihydroacridine (CID 100991515) is 9-deuterio-9,10-dihydroacridine.
What is the SMILES notation for 9-deuterio-9,10-dihydroacridine?
The canonical SMILES for 9-deuterio-9,10-dihydroacridine is [2H]C1c2ccccc2Nc2ccccc21.
What is the InChIKey of 9-deuterio-9,10-dihydroacridine?
The InChIKey is HJCUTNIGJHJGCF-QOWOAITPSA-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/h1-8,14H,9H2/i9D.
What are the key properties of 9-deuterio-9,10-dihydroacridine?
9-deuterio-9,10-dihydroacridine has a molecular weight of 182.24 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-deuterio-9,10-dihydroacridine is sourced from PubChem (CID 100991515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).