5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one

C9H15NO2 — CID 59988970

IUPAC5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=C(C)CN1CC(CC)OC1=O
InChIInChI=1S/C9H15NO2/c1-4-8-6-10(5-7(2)3)9(11)12-8/h8H,2,4-6H2,1,3H3
InChIKeyMYUILRATFBFORY-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds3

About 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one

5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 59988970) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID59988970
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=C(C)CN1CC(CC)OC1=O
InChIInChI=1S/C9H15NO2/c1-4-8-6-10(5-7(2)3)9(11)12-8/h8H,2,4-6H2,1,3H3
InChIKeyMYUILRATFBFORY-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one (CID 59988970) is 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one is C=C(C)CN1CC(CC)OC1=O.
What is the InChIKey of 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is MYUILRATFBFORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8-6-10(5-7(2)3)9(11)12-8/h8H,2,4-6H2,1,3H3.
What are the key properties of 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one?
5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59988970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).