4-(azidomethyl)oxan-4-ol

C6H11N3O2 — CID 15313358

IUPAC4-(azidomethyl)oxan-4-ol
SMILES[N-]=[N+]=NCC1(O)CCOCC1
InChIInChI=1S/C6H11N3O2/c7-9-8-5-6(10)1-3-11-4-2-6/h10H,1-5H2
InChIKeyMCJMVTOKZADIAN-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.84
Rot. Bonds2

About 4-(azidomethyl)oxan-4-ol

4-(azidomethyl)oxan-4-ol (PubChem CID 15313358) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-(azidomethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(azidomethyl)oxan-4-ol
PubChem CID15313358
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-(azidomethyl)oxan-4-ol
SMILES[N-]=[N+]=NCC1(O)CCOCC1
InChIInChI=1S/C6H11N3O2/c7-9-8-5-6(10)1-3-11-4-2-6/h10H,1-5H2
InChIKeyMCJMVTOKZADIAN-UHFFFAOYSA-N
XLogP0.84
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)oxan-4-ol?
The IUPAC name of 4-(azidomethyl)oxan-4-ol (CID 15313358) is 4-(azidomethyl)oxan-4-ol.
What is the SMILES notation for 4-(azidomethyl)oxan-4-ol?
The canonical SMILES for 4-(azidomethyl)oxan-4-ol is [N-]=[N+]=NCC1(O)CCOCC1.
What is the InChIKey of 4-(azidomethyl)oxan-4-ol?
The InChIKey is MCJMVTOKZADIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-9-8-5-6(10)1-3-11-4-2-6/h10H,1-5H2.
What are the key properties of 4-(azidomethyl)oxan-4-ol?
4-(azidomethyl)oxan-4-ol has a molecular weight of 157.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)oxan-4-ol is sourced from PubChem (CID 15313358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).