oxan-2-ylideneazanium

C5H10NO+ — CID 91105923

IUPACoxan-2-ylideneazanium
SMILES[NH2+]=C1CCCCO1
InChIInChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/p+1
InChIKeyZRJRSJSBBHDWFP-UHFFFAOYSA-O
MW100.14 g/mol
LogP-0.66
Rot. Bonds

About oxan-2-ylideneazanium

oxan-2-ylideneazanium (PubChem CID 91105923) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is oxan-2-ylideneazanium.

Molecular Properties

Compound Nameoxan-2-ylideneazanium
PubChem CID91105923
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Nameoxan-2-ylideneazanium
SMILES[NH2+]=C1CCCCO1
InChIInChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/p+1
InChIKeyZRJRSJSBBHDWFP-UHFFFAOYSA-O
XLogP-0.66
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 ≤ 5-0.66
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
Ethyl valerimidate
CID 12283340
Oxan-3-imine
CID 91515813
4-Fluorooxan-3-imine
CID 164067879
Pentyl ethanimidate
CID 15777990
Oxan-4-imine
CID 68424935
4-Methyloxan-2-imine
CID 70346812
Oxan-2-ylidenehydrazine
CID 85782519
Ethyl 2,2,3,3,4,4,5,5,5-nonadeuteriopentanimidate
CID 88120600
Oxane-3,5-diimine
CID 123226396
Oxan-3-ylideneazanium
CID 142527776

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylideneazanium?
The IUPAC name of oxan-2-ylideneazanium (CID 91105923) is oxan-2-ylideneazanium.
What is the SMILES notation for oxan-2-ylideneazanium?
The canonical SMILES for oxan-2-ylideneazanium is [NH2+]=C1CCCCO1.
What is the InChIKey of oxan-2-ylideneazanium?
The InChIKey is ZRJRSJSBBHDWFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/p+1.
What are the key properties of oxan-2-ylideneazanium?
oxan-2-ylideneazanium has a molecular weight of 100.14 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylideneazanium is sourced from PubChem (CID 91105923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).