3-[[methyl(propyl)amino]methyl]oxiran-2-one

C7H13NO2 — CID 123308186

IUPAC3-[[methyl(propyl)amino]methyl]oxiran-2-one
SMILESCCCN(C)CC1OC1=O
InChIInChI=1S/C7H13NO2/c1-3-4-8(2)5-6-7(9)10-6/h6H,3-5H2,1-2H3
InChIKeyVETRNDJGHDGZNO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds4

About 3-[[methyl(propyl)amino]methyl]oxiran-2-one

3-[[methyl(propyl)amino]methyl]oxiran-2-one (PubChem CID 123308186) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-[[methyl(propyl)amino]methyl]oxiran-2-one.

Molecular Properties

Compound Name3-[[methyl(propyl)amino]methyl]oxiran-2-one
PubChem CID123308186
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-[[methyl(propyl)amino]methyl]oxiran-2-one
SMILESCCCN(C)CC1OC1=O
InChIInChI=1S/C7H13NO2/c1-3-4-8(2)5-6-7(9)10-6/h6H,3-5H2,1-2H3
InChIKeyVETRNDJGHDGZNO-UHFFFAOYSA-N
XLogP0.25
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propyl)amino]methyl]oxiran-2-one?
The IUPAC name of 3-[[methyl(propyl)amino]methyl]oxiran-2-one (CID 123308186) is 3-[[methyl(propyl)amino]methyl]oxiran-2-one.
What is the SMILES notation for 3-[[methyl(propyl)amino]methyl]oxiran-2-one?
The canonical SMILES for 3-[[methyl(propyl)amino]methyl]oxiran-2-one is CCCN(C)CC1OC1=O.
What is the InChIKey of 3-[[methyl(propyl)amino]methyl]oxiran-2-one?
The InChIKey is VETRNDJGHDGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-8(2)5-6-7(9)10-6/h6H,3-5H2,1-2H3.
What are the key properties of 3-[[methyl(propyl)amino]methyl]oxiran-2-one?
3-[[methyl(propyl)amino]methyl]oxiran-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propyl)amino]methyl]oxiran-2-one is sourced from PubChem (CID 123308186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).