2-(azidomethyl)-2,3-dimethyloxirane

C5H9N3O — CID 118438961

IUPAC2-(azidomethyl)-2,3-dimethyloxirane
SMILESCC1OC1(C)CN=[N+]=[N-]
InChIInChI=1S/C5H9N3O/c1-4-5(2,9-4)3-7-8-6/h4H,3H2,1-2H3
InChIKeyXZCCHAKRVCVFOI-UHFFFAOYSA-N
MW127.15 g/mol
LogP1.47
Rot. Bonds2

About 2-(azidomethyl)-2,3-dimethyloxirane

2-(azidomethyl)-2,3-dimethyloxirane (PubChem CID 118438961) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(azidomethyl)-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-(azidomethyl)-2,3-dimethyloxirane
PubChem CID118438961
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(azidomethyl)-2,3-dimethyloxirane
SMILESCC1OC1(C)CN=[N+]=[N-]
InChIInChI=1S/C5H9N3O/c1-4-5(2,9-4)3-7-8-6/h4H,3H2,1-2H3
InChIKeyXZCCHAKRVCVFOI-UHFFFAOYSA-N
XLogP1.47
TPSA61.29 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 ≤ 51.47
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(azidomethyl)-2,3-dimethyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-2,3-dimethyloxirane?
The IUPAC name of 2-(azidomethyl)-2,3-dimethyloxirane (CID 118438961) is 2-(azidomethyl)-2,3-dimethyloxirane.
What is the SMILES notation for 2-(azidomethyl)-2,3-dimethyloxirane?
The canonical SMILES for 2-(azidomethyl)-2,3-dimethyloxirane is CC1OC1(C)CN=[N+]=[N-].
What is the InChIKey of 2-(azidomethyl)-2,3-dimethyloxirane?
The InChIKey is XZCCHAKRVCVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-5(2,9-4)3-7-8-6/h4H,3H2,1-2H3.
What are the key properties of 2-(azidomethyl)-2,3-dimethyloxirane?
2-(azidomethyl)-2,3-dimethyloxirane has a molecular weight of 127.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-2,3-dimethyloxirane is sourced from PubChem (CID 118438961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).