2,5-bis(azidomethyl)oxolane

C6H10N6O — CID 86718831

IUPAC2,5-bis(azidomethyl)oxolane
SMILES[N-]=[N+]=NCC1CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C6H10N6O/c7-11-9-3-5-1-2-6(13-5)4-10-12-8/h5-6H,1-4H2
InChIKeyAEZOGZDLJSSJKI-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.15
Rot. Bonds4

About 2,5-bis(azidomethyl)oxolane

2,5-bis(azidomethyl)oxolane (PubChem CID 86718831) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,5-bis(azidomethyl)oxolane.

Molecular Properties

Compound Name2,5-bis(azidomethyl)oxolane
PubChem CID86718831
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name2,5-bis(azidomethyl)oxolane
SMILES[N-]=[N+]=NCC1CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C6H10N6O/c7-11-9-3-5-1-2-6(13-5)4-10-12-8/h5-6H,1-4H2
InChIKeyAEZOGZDLJSSJKI-UHFFFAOYSA-N
XLogP2.15
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.15
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 2,5-bis(azidomethyl)oxolane?
The IUPAC name of 2,5-bis(azidomethyl)oxolane (CID 86718831) is 2,5-bis(azidomethyl)oxolane.
What is the SMILES notation for 2,5-bis(azidomethyl)oxolane?
The canonical SMILES for 2,5-bis(azidomethyl)oxolane is [N-]=[N+]=NCC1CCC(CN=[N+]=[N-])O1.
What is the InChIKey of 2,5-bis(azidomethyl)oxolane?
The InChIKey is AEZOGZDLJSSJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c7-11-9-3-5-1-2-6(13-5)4-10-12-8/h5-6H,1-4H2.
What are the key properties of 2,5-bis(azidomethyl)oxolane?
2,5-bis(azidomethyl)oxolane has a molecular weight of 182.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(azidomethyl)oxolane is sourced from PubChem (CID 86718831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).