oxan-3-ylideneazanium

C5H10NO+ — CID 142527776

IUPACoxan-3-ylideneazanium
SMILES[NH2+]=C1CCCOC1
InChIInChI=1S/C5H9NO/c6-5-2-1-3-7-4-5/h6H,1-4H2/p+1
InChIKeyHKXJLFVFTZTGNJ-UHFFFAOYSA-O
MW100.14 g/mol
LogP-1.00
Rot. Bonds

About oxan-3-ylideneazanium

oxan-3-ylideneazanium (PubChem CID 142527776) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is oxan-3-ylideneazanium.

Molecular Properties

Compound Nameoxan-3-ylideneazanium
PubChem CID142527776
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Nameoxan-3-ylideneazanium
SMILES[NH2+]=C1CCCOC1
InChIInChI=1S/C5H9NO/c6-5-2-1-3-7-4-5/h6H,1-4H2/p+1
InChIKeyHKXJLFVFTZTGNJ-UHFFFAOYSA-O
XLogP-1.00
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Iminotetrahydropyran hydrochloride
CID 359378
Oxan-2-imine
CID 359379
Oxan-3-imine
CID 91515813
4-Fluorooxan-3-imine
CID 164067879
Oxan-4-ylidenehydrazine
CID 59016641
Oxan-4-imine
CID 68424935
Oxan-2-ylideneazanium
CID 91105923
Oxane-3,5-diimine
CID 123226396
N-(oxan-4-ylidene)thiohydroxylamine
CID 130179635
1-Methoxypentane-2,4-diimine
CID 138709464
Oxan-4-ylideneazanide
CID 143517371
5-Methyloxan-3-imine
CID 163984205

Frequently Asked Questions

What is the IUPAC name of oxan-3-ylideneazanium?
The IUPAC name of oxan-3-ylideneazanium (CID 142527776) is oxan-3-ylideneazanium.
What is the SMILES notation for oxan-3-ylideneazanium?
The canonical SMILES for oxan-3-ylideneazanium is [NH2+]=C1CCCOC1.
What is the InChIKey of oxan-3-ylideneazanium?
The InChIKey is HKXJLFVFTZTGNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO/c6-5-2-1-3-7-4-5/h6H,1-4H2/p+1.
What are the key properties of oxan-3-ylideneazanium?
oxan-3-ylideneazanium has a molecular weight of 100.14 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylideneazanium is sourced from PubChem (CID 142527776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).