3-azido-5-ethyloxolan-2-one

C6H9N3O2 — CID 139940372

IUPAC3-azido-5-ethyloxolan-2-one
SMILESCCC1CC(N=[N+]=[N-])C(=O)O1
InChIInChI=1S/C6H9N3O2/c1-2-4-3-5(8-9-7)6(10)11-4/h4-5H,2-3H2,1H3
InChIKeyMIYNRKLILKHEHM-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.39
Rot. Bonds2

About 3-azido-5-ethyloxolan-2-one

3-azido-5-ethyloxolan-2-one (PubChem CID 139940372) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-azido-5-ethyloxolan-2-one.

Molecular Properties

Compound Name3-azido-5-ethyloxolan-2-one
PubChem CID139940372
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-azido-5-ethyloxolan-2-one
SMILESCCC1CC(N=[N+]=[N-])C(=O)O1
InChIInChI=1S/C6H9N3O2/c1-2-4-3-5(8-9-7)6(10)11-4/h4-5H,2-3H2,1H3
InChIKeyMIYNRKLILKHEHM-UHFFFAOYSA-N
XLogP1.39
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.39
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 3-azido-5-ethyloxolan-2-one?
The IUPAC name of 3-azido-5-ethyloxolan-2-one (CID 139940372) is 3-azido-5-ethyloxolan-2-one.
What is the SMILES notation for 3-azido-5-ethyloxolan-2-one?
The canonical SMILES for 3-azido-5-ethyloxolan-2-one is CCC1CC(N=[N+]=[N-])C(=O)O1.
What is the InChIKey of 3-azido-5-ethyloxolan-2-one?
The InChIKey is MIYNRKLILKHEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-4-3-5(8-9-7)6(10)11-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-azido-5-ethyloxolan-2-one?
3-azido-5-ethyloxolan-2-one has a molecular weight of 155.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-ethyloxolan-2-one is sourced from PubChem (CID 139940372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).