(3S,5S)-3-azido-5-phenyloxolan-2-one

C10H9N3O2 — CID 102451787

IUPAC(3S,5S)-3-azido-5-phenyloxolan-2-one
SMILES[N-]=[N+]=N[C@H]1C[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C10H9N3O2/c11-13-12-8-6-9(15-10(8)14)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m0/s1
InChIKeyYDVZAHNKKNQBPH-IUCAKERBSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

About (3S,5S)-3-azido-5-phenyloxolan-2-one

(3S,5S)-3-azido-5-phenyloxolan-2-one (PubChem CID 102451787) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (3S,5S)-3-azido-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-azido-5-phenyloxolan-2-one
PubChem CID102451787
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(3S,5S)-3-azido-5-phenyloxolan-2-one
SMILES[N-]=[N+]=N[C@H]1C[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C10H9N3O2/c11-13-12-8-6-9(15-10(8)14)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m0/s1
InChIKeyYDVZAHNKKNQBPH-IUCAKERBSA-N
XLogP2.35
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.35
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

(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one
CID 102451785
(3R,5R)-3-amino-5-phenyloxolan-2-one
CID 12521195
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
3-chloro-5-phenyloxolan-2-one
CID 3018341
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
(4R,5S)-4-azido-5-phenyloxolan-2-one
CID 10867402
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
(3R,5R)-3-ethenyl-5-phenyloxolan-2-one
CID 71408121
(2R,4R)-4-azido-2-phenyloxane
CID 86610160
(2S,4R)-4-azido-2-phenyloxane
CID 156594188
(2S)-4-azido-2-phenyloxane
CID 91415127
5-azido-2-phenyl-1,3-dioxane
CID 59511058

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-azido-5-phenyloxolan-2-one?
The IUPAC name of (3S,5S)-3-azido-5-phenyloxolan-2-one (CID 102451787) is (3S,5S)-3-azido-5-phenyloxolan-2-one.
What is the SMILES notation for (3S,5S)-3-azido-5-phenyloxolan-2-one?
The canonical SMILES for (3S,5S)-3-azido-5-phenyloxolan-2-one is [N-]=[N+]=N[C@H]1C[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (3S,5S)-3-azido-5-phenyloxolan-2-one?
The InChIKey is YDVZAHNKKNQBPH-IUCAKERBSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-13-12-8-6-9(15-10(8)14)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-3-azido-5-phenyloxolan-2-one?
(3S,5S)-3-azido-5-phenyloxolan-2-one has a molecular weight of 203.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-azido-5-phenyloxolan-2-one is sourced from PubChem (CID 102451787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).