5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide

C13H16N2O4 — CID 63570861

IUPAC5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2cccc(C=O)c2)O1
InChIInChI=1S/C13H16N2O4/c14-15-13(17)12-5-4-11(19-12)8-18-10-3-1-2-9(6-10)7-16/h1-3,6-7,11-12H,4-5,8,14H2,(H,15,17)
InChIKeyZUYLIMRMWYNPAI-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.42
Rot. Bonds5

About 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide

5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 63570861) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID63570861
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2cccc(C=O)c2)O1
InChIInChI=1S/C13H16N2O4/c14-15-13(17)12-5-4-11(19-12)8-18-10-3-1-2-9(6-10)7-16/h1-3,6-7,11-12H,4-5,8,14H2,(H,15,17)
InChIKeyZUYLIMRMWYNPAI-UHFFFAOYSA-N
XLogP0.42
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
CID 63575216
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823

Frequently Asked Questions

What is the IUPAC name of 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide (CID 63570861) is 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2cccc(C=O)c2)O1.
What is the InChIKey of 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is ZUYLIMRMWYNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-15-13(17)12-5-4-11(19-12)8-18-10-3-1-2-9(6-10)7-16/h1-3,6-7,11-12H,4-5,8,14H2,(H,15,17).
What are the key properties of 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide?
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 264.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63570861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).