9H-xanthen-9-ylazanium

C13H12NO+ — CID 51652356

IUPAC9H-xanthen-9-ylazanium
SMILES[NH3+]C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2/p+1
InChIKeyOTTYHRLXKGOXLY-UHFFFAOYSA-O
MW198.25 g/mol
LogP2.12
Rot. Bonds

About 9H-xanthen-9-ylazanium

9H-xanthen-9-ylazanium (PubChem CID 51652356) has the molecular formula C13H12NO+ and a molecular weight of 198.25 g/mol. Its IUPAC name is 9H-xanthen-9-ylazanium.

Molecular Properties

Compound Name9H-xanthen-9-ylazanium
PubChem CID51652356
Molecular FormulaC13H12NO+
Molecular Weight198.25 g/mol
Exact Mass198.09
IUPAC Name9H-xanthen-9-ylazanium
SMILES[NH3+]C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2/p+1
InChIKeyOTTYHRLXKGOXLY-UHFFFAOYSA-O
XLogP2.12
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthen-9-ylazanium?
The IUPAC name of 9H-xanthen-9-ylazanium (CID 51652356) is 9H-xanthen-9-ylazanium.
What is the SMILES notation for 9H-xanthen-9-ylazanium?
The canonical SMILES for 9H-xanthen-9-ylazanium is [NH3+]C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9H-xanthen-9-ylazanium?
The InChIKey is OTTYHRLXKGOXLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2/p+1.
What are the key properties of 9H-xanthen-9-ylazanium?
9H-xanthen-9-ylazanium has a molecular weight of 198.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthen-9-ylazanium is sourced from PubChem (CID 51652356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).