N-(2-methyloxiran-2-yl)oxypropan-2-imine

C6H11NO2 — CID 89125405

IUPACN-(2-methyloxiran-2-yl)oxypropan-2-imine
SMILESCC(C)=NOC1(C)CO1
InChIInChI=1S/C6H11NO2/c1-5(2)7-9-6(3)4-8-6/h4H2,1-3H3
InChIKeyIBHRGSBYZIJQNR-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.15
Rot. Bonds2

About N-(2-methyloxiran-2-yl)oxypropan-2-imine

N-(2-methyloxiran-2-yl)oxypropan-2-imine (PubChem CID 89125405) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(2-methyloxiran-2-yl)oxypropan-2-imine.

Molecular Properties

Compound NameN-(2-methyloxiran-2-yl)oxypropan-2-imine
PubChem CID89125405
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(2-methyloxiran-2-yl)oxypropan-2-imine
SMILESCC(C)=NOC1(C)CO1
InChIInChI=1S/C6H11NO2/c1-5(2)7-9-6(3)4-8-6/h4H2,1-3H3
InChIKeyIBHRGSBYZIJQNR-UHFFFAOYSA-N
XLogP1.15
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.15
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxiran-2-yl)oxypropan-2-imine?
The IUPAC name of N-(2-methyloxiran-2-yl)oxypropan-2-imine (CID 89125405) is N-(2-methyloxiran-2-yl)oxypropan-2-imine.
What is the SMILES notation for N-(2-methyloxiran-2-yl)oxypropan-2-imine?
The canonical SMILES for N-(2-methyloxiran-2-yl)oxypropan-2-imine is CC(C)=NOC1(C)CO1.
What is the InChIKey of N-(2-methyloxiran-2-yl)oxypropan-2-imine?
The InChIKey is IBHRGSBYZIJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)7-9-6(3)4-8-6/h4H2,1-3H3.
What are the key properties of N-(2-methyloxiran-2-yl)oxypropan-2-imine?
N-(2-methyloxiran-2-yl)oxypropan-2-imine has a molecular weight of 129.16 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxiran-2-yl)oxypropan-2-imine is sourced from PubChem (CID 89125405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).