1-(5-methyloxolan-3-yl)but-3-enylhydrazine

C9H18N2O — CID 105289691

IUPAC1-(5-methyloxolan-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1COC(C)C1
InChIInChI=1S/C9H18N2O/c1-3-4-9(11-10)8-5-7(2)12-6-8/h3,7-9,11H,1,4-6,10H2,2H3
InChIKeyARTBMBSFYHVSTD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.82
Rot. Bonds4

About 1-(5-methyloxolan-3-yl)but-3-enylhydrazine

1-(5-methyloxolan-3-yl)but-3-enylhydrazine (PubChem CID 105289691) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)but-3-enylhydrazine
PubChem CID105289691
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(5-methyloxolan-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1COC(C)C1
InChIInChI=1S/C9H18N2O/c1-3-4-9(11-10)8-5-7(2)12-6-8/h3,7-9,11H,1,4-6,10H2,2H3
InChIKeyARTBMBSFYHVSTD-UHFFFAOYSA-N
XLogP0.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)but-3-enylhydrazine?
The IUPAC name of 1-(5-methyloxolan-3-yl)but-3-enylhydrazine (CID 105289691) is 1-(5-methyloxolan-3-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(5-methyloxolan-3-yl)but-3-enylhydrazine is C=CCC(NN)C1COC(C)C1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)but-3-enylhydrazine?
The InChIKey is ARTBMBSFYHVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-9(11-10)8-5-7(2)12-6-8/h3,7-9,11H,1,4-6,10H2,2H3.
What are the key properties of 1-(5-methyloxolan-3-yl)but-3-enylhydrazine?
1-(5-methyloxolan-3-yl)but-3-enylhydrazine has a molecular weight of 170.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)but-3-enylhydrazine is sourced from PubChem (CID 105289691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).