oxan-4-ylazanium

C5H12NO+ — CID 6991942

IUPACoxan-4-ylazanium
SMILES[NH3+]C1CCOCC1
InChIInChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2/p+1
InChIKeyAHVQYHFYQWKUKB-UHFFFAOYSA-O
MW102.16 g/mol
LogP-0.59
Rot. Bonds

About oxan-4-ylazanium

oxan-4-ylazanium (PubChem CID 6991942) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is oxan-4-ylazanium.

Molecular Properties

Compound Nameoxan-4-ylazanium
PubChem CID6991942
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Nameoxan-4-ylazanium
SMILES[NH3+]C1CCOCC1
InChIInChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2/p+1
InChIKeyAHVQYHFYQWKUKB-UHFFFAOYSA-O
XLogP-0.59
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylazanium?
The IUPAC name of oxan-4-ylazanium (CID 6991942) is oxan-4-ylazanium.
What is the SMILES notation for oxan-4-ylazanium?
The canonical SMILES for oxan-4-ylazanium is [NH3+]C1CCOCC1.
What is the InChIKey of oxan-4-ylazanium?
The InChIKey is AHVQYHFYQWKUKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2/p+1.
What are the key properties of oxan-4-ylazanium?
oxan-4-ylazanium has a molecular weight of 102.16 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylazanium is sourced from PubChem (CID 6991942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).