N-(oxiran-2-yloxy)propan-2-imine

C5H9NO2 — CID 87998967

IUPACN-(oxiran-2-yloxy)propan-2-imine
SMILESCC(C)=NOC1CO1
InChIInChI=1S/C5H9NO2/c1-4(2)6-8-5-3-7-5/h5H,3H2,1-2H3
InChIKeyGPEWLOSUKKISMY-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.76
Rot. Bonds2

About N-(oxiran-2-yloxy)propan-2-imine

N-(oxiran-2-yloxy)propan-2-imine (PubChem CID 87998967) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-(oxiran-2-yloxy)propan-2-imine.

Molecular Properties

Compound NameN-(oxiran-2-yloxy)propan-2-imine
PubChem CID87998967
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-(oxiran-2-yloxy)propan-2-imine
SMILESCC(C)=NOC1CO1
InChIInChI=1S/C5H9NO2/c1-4(2)6-8-5-3-7-5/h5H,3H2,1-2H3
InChIKeyGPEWLOSUKKISMY-UHFFFAOYSA-N
XLogP0.76
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(oxiran-2-yloxy)propan-2-imine 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

N-(2-methyloxiran-2-yl)oxypropan-2-imine
CID 89125405
(E)-N,1,1-trimethoxypropan-2-imine
CID 117923435
(Z)-N,1,1-trimethoxypropan-2-imine
CID 117923463
N,1,1-trimethoxypropan-2-imine
CID 118010622
N-(2-methoxyethoxymethoxy)propan-2-imine
CID 14615187

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-yloxy)propan-2-imine?
The IUPAC name of N-(oxiran-2-yloxy)propan-2-imine (CID 87998967) is N-(oxiran-2-yloxy)propan-2-imine.
What is the SMILES notation for N-(oxiran-2-yloxy)propan-2-imine?
The canonical SMILES for N-(oxiran-2-yloxy)propan-2-imine is CC(C)=NOC1CO1.
What is the InChIKey of N-(oxiran-2-yloxy)propan-2-imine?
The InChIKey is GPEWLOSUKKISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(2)6-8-5-3-7-5/h5H,3H2,1-2H3.
What are the key properties of N-(oxiran-2-yloxy)propan-2-imine?
N-(oxiran-2-yloxy)propan-2-imine has a molecular weight of 115.13 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-yloxy)propan-2-imine is sourced from PubChem (CID 87998967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).