2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide

C13H12N2O3 — CID 4260722

IUPAC2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide
SMILESNNC(=O)C1COc2cc3ccccc3cc2O1
InChIInChI=1S/C13H12N2O3/c14-15-13(16)12-7-17-10-5-8-3-1-2-4-9(8)6-11(10)18-12/h1-6,12H,7,14H2,(H,15,16)
InChIKeyOULHYHDHJXHFAJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.97
Rot. Bonds1

About 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide

2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide (PubChem CID 4260722) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide.

Molecular Properties

Compound Name2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide
PubChem CID4260722
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide
SMILESNNC(=O)C1COc2cc3ccccc3cc2O1
InChIInChI=1S/C13H12N2O3/c14-15-13(16)12-7-17-10-5-8-3-1-2-4-9(8)6-11(10)18-12/h1-6,12H,7,14H2,(H,15,16)
InChIKeyOULHYHDHJXHFAJ-UHFFFAOYSA-N
XLogP0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide?
The IUPAC name of 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide (CID 4260722) is 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide.
What is the SMILES notation for 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide?
The canonical SMILES for 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide is NNC(=O)C1COc2cc3ccccc3cc2O1.
What is the InChIKey of 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide?
The InChIKey is OULHYHDHJXHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-15-13(16)12-7-17-10-5-8-3-1-2-4-9(8)6-11(10)18-12/h1-6,12H,7,14H2,(H,15,16).
What are the key properties of 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide?
2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide has a molecular weight of 244.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbohydrazide is sourced from PubChem (CID 4260722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).