[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine

C13H19IN2O — CID 105314283

IUPAC[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1ccccc1I
InChIInChI=1S/C13H19IN2O/c14-12-6-2-1-5-11(12)13(16-15)8-7-10-4-3-9-17-10/h1-2,5-6,10,13,16H,3-4,7-9,15H2
InChIKeyZIKUJCGHRGKRIA-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.75
Rot. Bonds5

About [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine

[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105314283) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105314283
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1ccccc1I
InChIInChI=1S/C13H19IN2O/c14-12-6-2-1-5-11(12)13(16-15)8-7-10-4-3-9-17-10/h1-2,5-6,10,13,16H,3-4,7-9,15H2
InChIKeyZIKUJCGHRGKRIA-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105304775
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
[1-(4-cyclobutylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105338158
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
[3-(oxolan-2-yl)-1-pyrimidin-5-ylpropyl]hydrazine
CID 105292141
[2-cyclopentyl-1-(2-iodophenyl)ethyl]hydrazine
CID 105299058

Frequently Asked Questions

What is the IUPAC name of [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105314283) is [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine is NNC(CCC1CCCO1)c1ccccc1I.
What is the InChIKey of [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is ZIKUJCGHRGKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c14-12-6-2-1-5-11(12)13(16-15)8-7-10-4-3-9-17-10/h1-2,5-6,10,13,16H,3-4,7-9,15H2.
What are the key properties of [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 346.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105314283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).