N-ethylperoxymethanimine

C3H7NO2 — CID 174443924

IUPACN-ethylperoxymethanimine
SMILESC=NOOCC
InChIInChI=1S/C3H7NO2/c1-3-5-6-4-2/h2-3H2,1H3
InChIKeyTZHZHMDYNFDUMU-UHFFFAOYSA-N
MW89.09 g/mol
LogP0.57
Rot. Bonds3

About N-ethylperoxymethanimine

N-ethylperoxymethanimine (PubChem CID 174443924) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is N-ethylperoxymethanimine.

Molecular Properties

Compound NameN-ethylperoxymethanimine
PubChem CID174443924
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC NameN-ethylperoxymethanimine
SMILESC=NOOCC
InChIInChI=1S/C3H7NO2/c1-3-5-6-4-2/h2-3H2,1H3
InChIKeyTZHZHMDYNFDUMU-UHFFFAOYSA-N
XLogP0.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-ethylperoxymethanimine with MolForge

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

Launch Full Analysis

Related Compounds

ethoxyperoxyethane;phosphane
CID 174988204
1,2-diethoxyethane;ethene
CID 158825770
methylperoxyethane;niobium
CID 139791519
N-ethylmethanimine
CID 535674
N-(2-ethoxyethyl)methanimine
CID 118258620
ethoxy N'-cyanocarbamimidate
CID 175980357
ethene;methoxyethane
CID 162163830
N-ethoxy-1-(methylideneamino)methanamine
CID 163858823
1-ethenoxy-2-ethoxyethane
CID 14510945
ethoxyethane;N-methylmethanimine;N-methylthiohydroxylamine
CID 142051395
(2-Ethoxyethoxy)(diethyl)silane
CID 23264511
(methylideneamino) propanoate
CID 54043734

Frequently Asked Questions

What is the IUPAC name of N-ethylperoxymethanimine?
The IUPAC name of N-ethylperoxymethanimine (CID 174443924) is N-ethylperoxymethanimine.
What is the SMILES notation for N-ethylperoxymethanimine?
The canonical SMILES for N-ethylperoxymethanimine is C=NOOCC.
What is the InChIKey of N-ethylperoxymethanimine?
The InChIKey is TZHZHMDYNFDUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c1-3-5-6-4-2/h2-3H2,1H3.
What are the key properties of N-ethylperoxymethanimine?
N-ethylperoxymethanimine has a molecular weight of 89.09 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylperoxymethanimine is sourced from PubChem (CID 174443924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).