(4R,5S)-4-azido-5-phenyloxolan-2-one

C10H9N3O2 — CID 10867402

IUPAC(4R,5S)-4-azido-5-phenyloxolan-2-one
SMILES[N-]=[N+]=N[C@@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C10H9N3O2/c11-13-12-8-6-9(14)15-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-,10+/m1/s1
InChIKeyXSAHCYHOSRRCGL-SCZZXKLOSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

About (4R,5S)-4-azido-5-phenyloxolan-2-one

(4R,5S)-4-azido-5-phenyloxolan-2-one (PubChem CID 10867402) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (4R,5S)-4-azido-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-azido-5-phenyloxolan-2-one
PubChem CID10867402
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(4R,5S)-4-azido-5-phenyloxolan-2-one
SMILES[N-]=[N+]=N[C@@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C10H9N3O2/c11-13-12-8-6-9(14)15-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-,10+/m1/s1
InChIKeyXSAHCYHOSRRCGL-SCZZXKLOSA-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

(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
(3S,5S)-3-azido-5-phenyloxolan-2-one
CID 102451787
(3S,4S)-4-azido-3-phenyl-3,4-dihydroisochromen-1-one
CID 57331975
5-azido-2-phenyl-1,3-dioxane
CID 59511058
(4S,5R)-4-methylsulfanyl-5-phenyloxolan-2-one
CID 132551217
(4aR,7R,7aR)-7-azido-2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 102078205
(4S,5R)-5-azido-4-(azidomethyl)-2-phenyl-1,3-dioxane
CID 102154551
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
CID 11424286

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-azido-5-phenyloxolan-2-one?
The IUPAC name of (4R,5S)-4-azido-5-phenyloxolan-2-one (CID 10867402) is (4R,5S)-4-azido-5-phenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-azido-5-phenyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-azido-5-phenyloxolan-2-one is [N-]=[N+]=N[C@@H]1CC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-azido-5-phenyloxolan-2-one?
The InChIKey is XSAHCYHOSRRCGL-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-13-12-8-6-9(14)15-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-,10+/m1/s1.
What are the key properties of (4R,5S)-4-azido-5-phenyloxolan-2-one?
(4R,5S)-4-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 (4R,5S)-4-azido-5-phenyloxolan-2-one is sourced from PubChem (CID 10867402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).