oxan-4-ylideneazanide

C5H8NO- — CID 143517371

IUPACoxan-4-ylideneazanide
SMILES[N-]=C1CCOCC1
InChIInChI=1S/C5H8NO/c6-5-1-3-7-4-2-5/h1-4H2/q-1
InChIKeyZRWHTHRAEUHTGR-UHFFFAOYSA-N
MW98.12 g/mol
LogP0.81
Rot. Bonds

About oxan-4-ylideneazanide

oxan-4-ylideneazanide (PubChem CID 143517371) has the molecular formula C5H8NO- and a molecular weight of 98.12 g/mol. Its IUPAC name is oxan-4-ylideneazanide.

Molecular Properties

Compound Nameoxan-4-ylideneazanide
PubChem CID143517371
Molecular FormulaC5H8NO-
Molecular Weight98.12 g/mol
Exact Mass98.06
IUPAC Nameoxan-4-ylideneazanide
SMILES[N-]=C1CCOCC1
InChIInChI=1S/C5H8NO/c6-5-1-3-7-4-2-5/h1-4H2/q-1
InChIKeyZRWHTHRAEUHTGR-UHFFFAOYSA-N
XLogP0.81
TPSA31.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylideneazanide?
The IUPAC name of oxan-4-ylideneazanide (CID 143517371) is oxan-4-ylideneazanide.
What is the SMILES notation for oxan-4-ylideneazanide?
The canonical SMILES for oxan-4-ylideneazanide is [N-]=C1CCOCC1.
What is the InChIKey of oxan-4-ylideneazanide?
The InChIKey is ZRWHTHRAEUHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO/c6-5-1-3-7-4-2-5/h1-4H2/q-1.
What are the key properties of oxan-4-ylideneazanide?
oxan-4-ylideneazanide has a molecular weight of 98.12 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylideneazanide is sourced from PubChem (CID 143517371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).