(5S)-5-(azidomethyl)oxolan-2-one

C5H7N3O2 — CID 11126355

IUPAC(5S)-5-(azidomethyl)oxolan-2-one
SMILES[N-]=[N+]=NC[C@@H]1CCC(=O)O1
InChIInChI=1S/C5H7N3O2/c6-8-7-3-4-1-2-5(9)10-4/h4H,1-3H2/t4-/m0/s1
InChIKeyROUYWNFHYZLDLL-BYPYZUCNSA-N
MW141.13 g/mol
LogP1.00
Rot. Bonds2

About (5S)-5-(azidomethyl)oxolan-2-one

(5S)-5-(azidomethyl)oxolan-2-one (PubChem CID 11126355) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is (5S)-5-(azidomethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(azidomethyl)oxolan-2-one
PubChem CID11126355
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name(5S)-5-(azidomethyl)oxolan-2-one
SMILES[N-]=[N+]=NC[C@@H]1CCC(=O)O1
InChIInChI=1S/C5H7N3O2/c6-8-7-3-4-1-2-5(9)10-4/h4H,1-3H2/t4-/m0/s1
InChIKeyROUYWNFHYZLDLL-BYPYZUCNSA-N
XLogP1.00
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.00
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 (5S)-5-(azidomethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(azidomethyl)oxolan-2-one (CID 11126355) is (5S)-5-(azidomethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(azidomethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(azidomethyl)oxolan-2-one is [N-]=[N+]=NC[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-(azidomethyl)oxolan-2-one?
The InChIKey is ROUYWNFHYZLDLL-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-8-7-3-4-1-2-5(9)10-4/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (5S)-5-(azidomethyl)oxolan-2-one?
(5S)-5-(azidomethyl)oxolan-2-one has a molecular weight of 141.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(azidomethyl)oxolan-2-one is sourced from PubChem (CID 11126355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).