2-(azidomethyl)oxolane

C5H9N3O — CID 15267594

IUPAC2-(azidomethyl)oxolane
SMILES[N-]=[N+]=NCC1CCCO1
InChIInChI=1S/C5H9N3O/c6-8-7-4-5-2-1-3-9-5/h5H,1-4H2
InChIKeyBUAAYMXHYIEKND-UHFFFAOYSA-N
MW127.15 g/mol
LogP1.48
Rot. Bonds2

About 2-(azidomethyl)oxolane

2-(azidomethyl)oxolane (PubChem CID 15267594) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(azidomethyl)oxolane.

Molecular Properties

Compound Name2-(azidomethyl)oxolane
PubChem CID15267594
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(azidomethyl)oxolane
SMILES[N-]=[N+]=NCC1CCCO1
InChIInChI=1S/C5H9N3O/c6-8-7-4-5-2-1-3-9-5/h5H,1-4H2
InChIKeyBUAAYMXHYIEKND-UHFFFAOYSA-N
XLogP1.48
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(azidomethyl)oxolane?
The IUPAC name of 2-(azidomethyl)oxolane (CID 15267594) is 2-(azidomethyl)oxolane.
What is the SMILES notation for 2-(azidomethyl)oxolane?
The canonical SMILES for 2-(azidomethyl)oxolane is [N-]=[N+]=NCC1CCCO1.
What is the InChIKey of 2-(azidomethyl)oxolane?
The InChIKey is BUAAYMXHYIEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-8-7-4-5-2-1-3-9-5/h5H,1-4H2.
What are the key properties of 2-(azidomethyl)oxolane?
2-(azidomethyl)oxolane has a molecular weight of 127.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)oxolane is sourced from PubChem (CID 15267594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).