1-(1,4-oxathian-2-yl)pent-4-enylhydrazine

C9H18N2OS — CID 105249626

IUPAC1-(1,4-oxathian-2-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1CSCCO1
InChIInChI=1S/C9H18N2OS/c1-2-3-4-8(11-10)9-7-13-6-5-12-9/h2,8-9,11H,1,3-7,10H2
InChIKeyXKCFIMOPGXWVOA-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.92
Rot. Bonds5

About 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine

1-(1,4-oxathian-2-yl)pent-4-enylhydrazine (PubChem CID 105249626) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)pent-4-enylhydrazine
PubChem CID105249626
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-(1,4-oxathian-2-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1CSCCO1
InChIInChI=1S/C9H18N2OS/c1-2-3-4-8(11-10)9-7-13-6-5-12-9/h2,8-9,11H,1,3-7,10H2
InChIKeyXKCFIMOPGXWVOA-UHFFFAOYSA-N
XLogP0.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
[2-cyclohexyl-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249582
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
CID 105249480
[3-methylidene-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249763
[3-methyl-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249722
[1-(1,4-oxathian-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105249682
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744
[2-(3-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249733
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine?
The IUPAC name of 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine (CID 105249626) is 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine?
The canonical SMILES for 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine is C=CCCC(NN)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine?
The InChIKey is XKCFIMOPGXWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-3-4-8(11-10)9-7-13-6-5-12-9/h2,8-9,11H,1,3-7,10H2.
What are the key properties of 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine?
1-(1,4-oxathian-2-yl)pent-4-enylhydrazine has a molecular weight of 202.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)pent-4-enylhydrazine is sourced from PubChem (CID 105249626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).