3-aminophenalen-1-one

C13H9NO — CID 2794423

IUPAC3-aminophenalen-1-one
SMILESNC1=CC(=O)c2cccc3cccc1c23
InChIInChI=1S/C13H9NO/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H,14H2
InChIKeyGWTHLYJSIHTVPG-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.34
Rot. Bonds

About 3-aminophenalen-1-one

3-aminophenalen-1-one (PubChem CID 2794423) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-aminophenalen-1-one.

Molecular Properties

Compound Name3-aminophenalen-1-one
PubChem CID2794423
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name3-aminophenalen-1-one
SMILESNC1=CC(=O)c2cccc3cccc1c23
InChIInChI=1S/C13H9NO/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H,14H2
InChIKeyGWTHLYJSIHTVPG-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-aminophenalen-1-one 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 3-aminophenalen-1-one?
The IUPAC name of 3-aminophenalen-1-one (CID 2794423) is 3-aminophenalen-1-one.
What is the SMILES notation for 3-aminophenalen-1-one?
The canonical SMILES for 3-aminophenalen-1-one is NC1=CC(=O)c2cccc3cccc1c23.
What is the InChIKey of 3-aminophenalen-1-one?
The InChIKey is GWTHLYJSIHTVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H,14H2.
What are the key properties of 3-aminophenalen-1-one?
3-aminophenalen-1-one has a molecular weight of 195.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminophenalen-1-one is sourced from PubChem (CID 2794423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).