(3R)-3-azido-4,4-dimethyloxolan-2-one

C6H9N3O2 — CID 46737241

IUPAC(3R)-3-azido-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C6H9N3O2/c1-6(2)3-11-5(10)4(6)8-9-7/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyCUPAQOABYPHYPF-BYPYZUCNSA-N
MW155.16 g/mol
LogP1.25
Rot. Bonds1

About (3R)-3-azido-4,4-dimethyloxolan-2-one

(3R)-3-azido-4,4-dimethyloxolan-2-one (PubChem CID 46737241) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (3R)-3-azido-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-azido-4,4-dimethyloxolan-2-one
PubChem CID46737241
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(3R)-3-azido-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C6H9N3O2/c1-6(2)3-11-5(10)4(6)8-9-7/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyCUPAQOABYPHYPF-BYPYZUCNSA-N
XLogP1.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-azido-4,4-dimethyloxolan-2-one?
The IUPAC name of (3R)-3-azido-4,4-dimethyloxolan-2-one (CID 46737241) is (3R)-3-azido-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R)-3-azido-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3R)-3-azido-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (3R)-3-azido-4,4-dimethyloxolan-2-one?
The InChIKey is CUPAQOABYPHYPF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(2)3-11-5(10)4(6)8-9-7/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (3R)-3-azido-4,4-dimethyloxolan-2-one?
(3R)-3-azido-4,4-dimethyloxolan-2-one has a molecular weight of 155.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azido-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 46737241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).