5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide

C12H15IN2O3 — CID 63570508

IUPAC5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccccc2I)O1
InChIInChI=1S/C12H15IN2O3/c13-9-3-1-2-4-10(9)17-7-8-5-6-11(18-8)12(16)15-14/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyBKBPIMLUUOIMOS-UHFFFAOYSA-N
MW362.17 g/mol
LogP1.21
Rot. Bonds4

About 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide

5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 63570508) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID63570508
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC Name5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2ccccc2I)O1
InChIInChI=1S/C12H15IN2O3/c13-9-3-1-2-4-10(9)17-7-8-5-6-11(18-8)12(16)15-14/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyBKBPIMLUUOIMOS-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 51.21
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63568919
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63568562
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604

Frequently Asked Questions

What is the IUPAC name of 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide (CID 63570508) is 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2ccccc2I)O1.
What is the InChIKey of 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is BKBPIMLUUOIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c13-9-3-1-2-4-10(9)17-7-8-5-6-11(18-8)12(16)15-14/h1-4,8,11H,5-7,14H2,(H,15,16).
What are the key properties of 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide?
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 362.17 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63570508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).