5-azido-2-phenyl-1,3-dioxane

C10H11N3O2 — CID 59511058

IUPAC5-azido-2-phenyl-1,3-dioxane
SMILES[N-]=[N+]=NC1COC(c2ccccc2)OC1
InChIInChI=1S/C10H11N3O2/c11-13-12-9-6-14-10(15-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyQACWTGGKNGOTBK-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.41
Rot. Bonds2

About 5-azido-2-phenyl-1,3-dioxane

5-azido-2-phenyl-1,3-dioxane (PubChem CID 59511058) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-azido-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5-azido-2-phenyl-1,3-dioxane
PubChem CID59511058
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-azido-2-phenyl-1,3-dioxane
SMILES[N-]=[N+]=NC1COC(c2ccccc2)OC1
InChIInChI=1S/C10H11N3O2/c11-13-12-9-6-14-10(15-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyQACWTGGKNGOTBK-UHFFFAOYSA-N
XLogP2.41
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
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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Related Compounds

(4S,5R)-5-azido-4-(azidomethyl)-2-phenyl-1,3-dioxane
CID 102154551
5-azido-2-phenyl-1,3-dioxane;ethynylbenzene;iodocopper;4-phenyl-1-(2-phenyl-1,3-dioxan-5-yl)triazole
CID 161164698
(2S,4R)-4-azido-2-phenyloxane
CID 156594188
(2S)-4-azido-2-phenyloxane
CID 91415127
(2R,4R)-4-azido-2-phenyloxane
CID 86610160
(4aR,7R,7aR)-7-azido-2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 102078205
5-azido-2-benzhydryloxane
CID 73009162
(4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 54384399
(2R,4aR,7R,8R,8aS)-7-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 11277795
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
7-amino-6-azido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 59773142
(4aR,6S,7R,8R,8aR)-7-azido-6-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 91255536

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-phenyl-1,3-dioxane?
The IUPAC name of 5-azido-2-phenyl-1,3-dioxane (CID 59511058) is 5-azido-2-phenyl-1,3-dioxane.
What is the SMILES notation for 5-azido-2-phenyl-1,3-dioxane?
The canonical SMILES for 5-azido-2-phenyl-1,3-dioxane is [N-]=[N+]=NC1COC(c2ccccc2)OC1.
What is the InChIKey of 5-azido-2-phenyl-1,3-dioxane?
The InChIKey is QACWTGGKNGOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-13-12-9-6-14-10(15-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 5-azido-2-phenyl-1,3-dioxane?
5-azido-2-phenyl-1,3-dioxane has a molecular weight of 205.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-phenyl-1,3-dioxane is sourced from PubChem (CID 59511058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).