3-(oxetan-3-yloxymethyl)benzohydrazide

C11H14N2O3 — CID 102608436

IUPAC3-(oxetan-3-yloxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COC2COC2)c1
InChIInChI=1S/C11H14N2O3/c12-13-11(14)9-3-1-2-8(4-9)5-16-10-6-15-7-10/h1-4,10H,5-7,12H2,(H,13,14)
InChIKeyXFOQFSGBESKHSE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.21
Rot. Bonds4

About 3-(oxetan-3-yloxymethyl)benzohydrazide

3-(oxetan-3-yloxymethyl)benzohydrazide (PubChem CID 102608436) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(oxetan-3-yloxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-(oxetan-3-yloxymethyl)benzohydrazide
PubChem CID102608436
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(oxetan-3-yloxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COC2COC2)c1
InChIInChI=1S/C11H14N2O3/c12-13-11(14)9-3-1-2-8(4-9)5-16-10-6-15-7-10/h1-4,10H,5-7,12H2,(H,13,14)
InChIKeyXFOQFSGBESKHSE-UHFFFAOYSA-N
XLogP0.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.21
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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Related Compounds

3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462
[3-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605746
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yloxymethyl)benzohydrazide?
The IUPAC name of 3-(oxetan-3-yloxymethyl)benzohydrazide (CID 102608436) is 3-(oxetan-3-yloxymethyl)benzohydrazide.
What is the SMILES notation for 3-(oxetan-3-yloxymethyl)benzohydrazide?
The canonical SMILES for 3-(oxetan-3-yloxymethyl)benzohydrazide is NNC(=O)c1cccc(COC2COC2)c1.
What is the InChIKey of 3-(oxetan-3-yloxymethyl)benzohydrazide?
The InChIKey is XFOQFSGBESKHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-13-11(14)9-3-1-2-8(4-9)5-16-10-6-15-7-10/h1-4,10H,5-7,12H2,(H,13,14).
What are the key properties of 3-(oxetan-3-yloxymethyl)benzohydrazide?
3-(oxetan-3-yloxymethyl)benzohydrazide has a molecular weight of 222.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yloxymethyl)benzohydrazide is sourced from PubChem (CID 102608436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).