N-(oxadiaziridin-2-ylmethyl)methanimine

C2H5N3O — CID 163537567

IUPACN-(oxadiaziridin-2-ylmethyl)methanimine
SMILESC=NCn1[nH]o1
InChIInChI=1S/C2H5N3O/c1-3-2-5-4-6-5/h4H,1-2H2
InChIKeyDYHODVWTVMJINX-UHFFFAOYSA-N
MW87.08 g/mol
LogP0.07
Rot. Bonds2

About N-(oxadiaziridin-2-ylmethyl)methanimine

N-(oxadiaziridin-2-ylmethyl)methanimine (PubChem CID 163537567) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is N-(oxadiaziridin-2-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(oxadiaziridin-2-ylmethyl)methanimine
PubChem CID163537567
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC NameN-(oxadiaziridin-2-ylmethyl)methanimine
SMILESC=NCn1[nH]o1
InChIInChI=1S/C2H5N3O/c1-3-2-5-4-6-5/h4H,1-2H2
InChIKeyDYHODVWTVMJINX-UHFFFAOYSA-N
XLogP0.07
TPSA46.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(oxadiaziridin-2-ylmethyl)methanimine 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 N-(oxadiaziridin-2-ylmethyl)methanimine?
The IUPAC name of N-(oxadiaziridin-2-ylmethyl)methanimine (CID 163537567) is N-(oxadiaziridin-2-ylmethyl)methanimine.
What is the SMILES notation for N-(oxadiaziridin-2-ylmethyl)methanimine?
The canonical SMILES for N-(oxadiaziridin-2-ylmethyl)methanimine is C=NCn1[nH]o1.
What is the InChIKey of N-(oxadiaziridin-2-ylmethyl)methanimine?
The InChIKey is DYHODVWTVMJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O/c1-3-2-5-4-6-5/h4H,1-2H2.
What are the key properties of N-(oxadiaziridin-2-ylmethyl)methanimine?
N-(oxadiaziridin-2-ylmethyl)methanimine has a molecular weight of 87.08 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxadiaziridin-2-ylmethyl)methanimine is sourced from PubChem (CID 163537567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).