3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde

C6H9NO3 — CID 14683575

IUPAC3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde
SMILESCCN1C(=O)OCC1C=O
InChIInChI=1S/C6H9NO3/c1-2-7-5(3-8)4-10-6(7)9/h3,5H,2,4H2,1H3
InChIKeyJRARLRFRBSRKHL-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.03
Rot. Bonds2

About 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde

3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde (PubChem CID 14683575) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde
PubChem CID14683575
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde
SMILESCCN1C(=O)OCC1C=O
InChIInChI=1S/C6H9NO3/c1-2-7-5(3-8)4-10-6(7)9/h3,5H,2,4H2,1H3
InChIKeyJRARLRFRBSRKHL-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde (CID 14683575) is 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde is CCN1C(=O)OCC1C=O.
What is the InChIKey of 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is JRARLRFRBSRKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-5(3-8)4-10-6(7)9/h3,5H,2,4H2,1H3.
What are the key properties of 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde?
3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 143.14 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 14683575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).