oxan-4-ylidenehydrazine

C5H10N2O — CID 59016641

IUPACoxan-4-ylidenehydrazine
SMILESNN=C1CCOCC1
InChIInChI=1S/C5H10N2O/c6-7-5-1-3-8-4-2-5/h1-4,6H2
InChIKeyTUOJETSNIXQSHR-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.11
Rot. Bonds

About oxan-4-ylidenehydrazine

oxan-4-ylidenehydrazine (PubChem CID 59016641) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is oxan-4-ylidenehydrazine.

Molecular Properties

Compound Nameoxan-4-ylidenehydrazine
PubChem CID59016641
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Nameoxan-4-ylidenehydrazine
SMILESNN=C1CCOCC1
InChIInChI=1S/C5H10N2O/c6-7-5-1-3-8-4-2-5/h1-4,6H2
InChIKeyTUOJETSNIXQSHR-UHFFFAOYSA-N
XLogP0.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 oxan-4-ylidenehydrazine?
The IUPAC name of oxan-4-ylidenehydrazine (CID 59016641) is oxan-4-ylidenehydrazine.
What is the SMILES notation for oxan-4-ylidenehydrazine?
The canonical SMILES for oxan-4-ylidenehydrazine is NN=C1CCOCC1.
What is the InChIKey of oxan-4-ylidenehydrazine?
The InChIKey is TUOJETSNIXQSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-7-5-1-3-8-4-2-5/h1-4,6H2.
What are the key properties of oxan-4-ylidenehydrazine?
oxan-4-ylidenehydrazine has a molecular weight of 114.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylidenehydrazine is sourced from PubChem (CID 59016641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).