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'}

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Related Compounds

2-(azidomethyl)-2,5-dimethyl-1,3-dioxane
CID 150809746
3-(azidomethyl)-2,2-dimethyloxirane
CID 45120427
(3aR,7aR)-7a-(azidomethyl)-2,2-dimethyl-4,5,6,7-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 118329687
(2R,3R,5R,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 59439595
4-(azidomethyl)-1-oxido-2,6,7-trioxa-1-phosphoniabicyclo[2.2.2]octane
CID 102119002
(1S,2R,6R,9R)-6-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 7057269
2-(azidomethyl)-1,3-dioxolane
CID 19934523
2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
CID 165438047
(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
CID 46868038
5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
CID 118272400
3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one
CID 132547144
2-(azidomethyl)-2,3,5,8,8-pentamethyl-3,6-dihydrofuro[2,3-e]indol-7-one
CID 22414883

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).