azido(methoxy)methane

C2H5N3O — CID 13069034

IUPACazido(methoxy)methane
SMILESCOCN=[N+]=[N-]
InChIInChI=1S/C2H5N3O/c1-6-2-4-5-3/h2H2,1H3
InChIKeyFNYMDIMWPBVCGO-UHFFFAOYSA-N
MW87.08 g/mol
LogP0.90
Rot. Bonds2

About azido(methoxy)methane

azido(methoxy)methane (PubChem CID 13069034) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is azido(methoxy)methane.

Molecular Properties

Compound Nameazido(methoxy)methane
PubChem CID13069034
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Nameazido(methoxy)methane
SMILESCOCN=[N+]=[N-]
InChIInChI=1S/C2H5N3O/c1-6-2-4-5-3/h2H2,1H3
InChIKeyFNYMDIMWPBVCGO-UHFFFAOYSA-N
XLogP0.90
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.90
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'}

Analyze azido(methoxy)methane 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 azido(methoxy)methane?
The IUPAC name of azido(methoxy)methane (CID 13069034) is azido(methoxy)methane.
What is the SMILES notation for azido(methoxy)methane?
The canonical SMILES for azido(methoxy)methane is COCN=[N+]=[N-].
What is the InChIKey of azido(methoxy)methane?
The InChIKey is FNYMDIMWPBVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O/c1-6-2-4-5-3/h2H2,1H3.
What are the key properties of azido(methoxy)methane?
azido(methoxy)methane has a molecular weight of 87.08 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azido(methoxy)methane is sourced from PubChem (CID 13069034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).