9H-xanthene-9-carbohydrazide

C14H12N2O2 — CID 699666

IUPAC9H-xanthene-9-carbohydrazide
SMILESNNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H12N2O2/c15-16-14(17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13H,15H2,(H,16,17)
InChIKeyVDVNAWMSFFMKDT-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.91
Rot. Bonds1

About 9H-xanthene-9-carbohydrazide

9H-xanthene-9-carbohydrazide (PubChem CID 699666) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 9H-xanthene-9-carbohydrazide.

Molecular Properties

Compound Name9H-xanthene-9-carbohydrazide
PubChem CID699666
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name9H-xanthene-9-carbohydrazide
SMILESNNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H12N2O2/c15-16-14(17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13H,15H2,(H,16,17)
InChIKeyVDVNAWMSFFMKDT-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9H-xanthene-9-carbohydrazide 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 9H-xanthene-9-carbohydrazide?
The IUPAC name of 9H-xanthene-9-carbohydrazide (CID 699666) is 9H-xanthene-9-carbohydrazide.
What is the SMILES notation for 9H-xanthene-9-carbohydrazide?
The canonical SMILES for 9H-xanthene-9-carbohydrazide is NNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9H-xanthene-9-carbohydrazide?
The InChIKey is VDVNAWMSFFMKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-16-14(17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13H,15H2,(H,16,17).
What are the key properties of 9H-xanthene-9-carbohydrazide?
9H-xanthene-9-carbohydrazide has a molecular weight of 240.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthene-9-carbohydrazide is sourced from PubChem (CID 699666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).