N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine

C6H11NO2 — CID 51900547

IUPACN-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine
SMILESCC(C)=NOC[C@H]1CO1
InChIInChI=1S/C6H11NO2/c1-5(2)7-9-4-6-3-8-6/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNCDNFHWIOCHUCL-ZCFIWIBFSA-N
MW129.16 g/mol
LogP0.80
Rot. Bonds3

About N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine

N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine (PubChem CID 51900547) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine.

Molecular Properties

Compound NameN-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine
PubChem CID51900547
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine
SMILESCC(C)=NOC[C@H]1CO1
InChIInChI=1S/C6H11NO2/c1-5(2)7-9-4-6-3-8-6/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNCDNFHWIOCHUCL-ZCFIWIBFSA-N
XLogP0.80
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.80
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-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine?
The IUPAC name of N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine (CID 51900547) is N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine.
What is the SMILES notation for N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine?
The canonical SMILES for N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine is CC(C)=NOC[C@H]1CO1.
What is the InChIKey of N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine?
The InChIKey is NCDNFHWIOCHUCL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)7-9-4-6-3-8-6/h6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine?
N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine has a molecular weight of 129.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxiran-2-yl]methoxy]propan-2-imine is sourced from PubChem (CID 51900547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).