N-ethoxyazetidin-3-imine

C5H10N2O — CID 137451087

IUPACN-ethoxyazetidin-3-imine
SMILESCCON=C1CNC1
InChIInChI=1S/C5H10N2O/c1-2-8-7-5-3-6-4-5/h6H,2-4H2,1H3
InChIKeyKMRDQZOJHOXMGV-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.02
Rot. Bonds2

About N-ethoxyazetidin-3-imine

N-ethoxyazetidin-3-imine (PubChem CID 137451087) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-ethoxyazetidin-3-imine.

Molecular Properties

Compound NameN-ethoxyazetidin-3-imine
PubChem CID137451087
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-ethoxyazetidin-3-imine
SMILESCCON=C1CNC1
InChIInChI=1S/C5H10N2O/c1-2-8-7-5-3-6-4-5/h6H,2-4H2,1H3
InChIKeyKMRDQZOJHOXMGV-UHFFFAOYSA-N
XLogP-0.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxyazetidin-3-imine?
The IUPAC name of N-ethoxyazetidin-3-imine (CID 137451087) is N-ethoxyazetidin-3-imine.
What is the SMILES notation for N-ethoxyazetidin-3-imine?
The canonical SMILES for N-ethoxyazetidin-3-imine is CCON=C1CNC1.
What is the InChIKey of N-ethoxyazetidin-3-imine?
The InChIKey is KMRDQZOJHOXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-8-7-5-3-6-4-5/h6H,2-4H2,1H3.
What are the key properties of N-ethoxyazetidin-3-imine?
N-ethoxyazetidin-3-imine has a molecular weight of 114.15 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyazetidin-3-imine is sourced from PubChem (CID 137451087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).