xanthen-3-imine

C13H9NO — CID 89256513

IUPACxanthen-3-imine
SMILES[H]/N=c1\ccc2cc3ccccc3oc-2c1
InChIInChI=1S/C13H9NO/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8,14H/b14-11+
InChIKeyZFLBCEDXYQHVDO-SDNWHVSQSA-N
MW195.22 g/mol
LogP3.02
Rot. Bonds

About xanthen-3-imine

xanthen-3-imine (PubChem CID 89256513) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is xanthen-3-imine.

Molecular Properties

Compound Namexanthen-3-imine
PubChem CID89256513
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Namexanthen-3-imine
SMILES[H]/N=c1\ccc2cc3ccccc3oc-2c1
InChIInChI=1S/C13H9NO/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8,14H/b14-11+
InChIKeyZFLBCEDXYQHVDO-SDNWHVSQSA-N
XLogP3.02
TPSA36.99 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze xanthen-3-imine 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 xanthen-3-imine?
The IUPAC name of xanthen-3-imine (CID 89256513) is xanthen-3-imine.
What is the SMILES notation for xanthen-3-imine?
The canonical SMILES for xanthen-3-imine is [H]/N=c1\ccc2cc3ccccc3oc-2c1.
What is the InChIKey of xanthen-3-imine?
The InChIKey is ZFLBCEDXYQHVDO-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H9NO/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8,14H/b14-11+.
What are the key properties of xanthen-3-imine?
xanthen-3-imine has a molecular weight of 195.22 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for xanthen-3-imine is sourced from PubChem (CID 89256513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).