ethenimine;hydrate

C2H5NO — CID 173030024

IUPACethenimine;hydrate
SMILESC=C=N.O
InChIInChI=1S/C2H3N.H2O/c1-2-3;/h3H,1H2;1H2
InChIKeyGJIAXXJKDNDUJT-UHFFFAOYSA-N
MW59.07 g/mol
LogP-0.40
Rot. Bonds

About ethenimine;hydrate

ethenimine;hydrate (PubChem CID 173030024) has the molecular formula C2H5NO and a molecular weight of 59.07 g/mol. Its IUPAC name is ethenimine;hydrate.

Molecular Properties

Compound Nameethenimine;hydrate
PubChem CID173030024
Molecular FormulaC2H5NO
Molecular Weight59.07 g/mol
Exact Mass59.04
IUPAC Nameethenimine;hydrate
SMILESC=C=N.O
InChIInChI=1S/C2H3N.H2O/c1-2-3;/h3H,1H2;1H2
InChIKeyGJIAXXJKDNDUJT-UHFFFAOYSA-N
XLogP-0.40
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.07
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethenimine;hydrate 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

ethenimine;silane
CID 173023188
ethenimine;phosphorous acid
CID 175070200
methane;propa-1,2-diene;hydrate
CID 169425372
isocyanic acid;hydrate
CID 19755102
methanediimine
CID 161145332
methanimine;silver
CID 87133687
methanimine;dihydrochloride
CID 172678278
propa-1,2-diene
CID 10037
methanimine;hydrochloride
CID 172805280
ethenimine;phosphono dihydrogen phosphate
CID 173349154
ethenimine;oxetan-2-one
CID 23354889
methanediimine;zirconium
CID 175955107

Frequently Asked Questions

What is the IUPAC name of ethenimine;hydrate?
The IUPAC name of ethenimine;hydrate (CID 173030024) is ethenimine;hydrate.
What is the SMILES notation for ethenimine;hydrate?
The canonical SMILES for ethenimine;hydrate is C=C=N.O.
What is the InChIKey of ethenimine;hydrate?
The InChIKey is GJIAXXJKDNDUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.H2O/c1-2-3;/h3H,1H2;1H2.
What are the key properties of ethenimine;hydrate?
ethenimine;hydrate has a molecular weight of 59.07 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenimine;hydrate is sourced from PubChem (CID 173030024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).