oxan-4-ylhydrazine

C5H12N2O — CID 10057480

IUPACoxan-4-ylhydrazine
SMILESNNC1CCOCC1
InChIInChI=1S/C5H12N2O/c6-7-5-1-3-8-4-2-5/h5,7H,1-4,6H2
InChIKeyCMXVPHSHKFQSHM-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.37
Rot. Bonds1

About oxan-4-ylhydrazine

oxan-4-ylhydrazine (PubChem CID 10057480) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is oxan-4-ylhydrazine.

Molecular Properties

Compound Nameoxan-4-ylhydrazine
PubChem CID10057480
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameoxan-4-ylhydrazine
SMILESNNC1CCOCC1
InChIInChI=1S/C5H12N2O/c6-7-5-1-3-8-4-2-5/h5,7H,1-4,6H2
InChIKeyCMXVPHSHKFQSHM-UHFFFAOYSA-N
XLogP-0.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-ylhydrazine?
The IUPAC name of oxan-4-ylhydrazine (CID 10057480) is oxan-4-ylhydrazine.
What is the SMILES notation for oxan-4-ylhydrazine?
The canonical SMILES for oxan-4-ylhydrazine is NNC1CCOCC1.
What is the InChIKey of oxan-4-ylhydrazine?
The InChIKey is CMXVPHSHKFQSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-7-5-1-3-8-4-2-5/h5,7H,1-4,6H2.
What are the key properties of oxan-4-ylhydrazine?
oxan-4-ylhydrazine has a molecular weight of 116.16 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylhydrazine is sourced from PubChem (CID 10057480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).