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

C4H5NO3 — CID 19736925

IUPAC2-oxo-1,3-oxazolidine-3-carbaldehyde
SMILESO=CN1CCOC1=O
InChIInChI=1S/C4H5NO3/c6-3-5-1-2-8-4(5)7/h3H,1-2H2
InChIKeyJRZSJAZVEWNVFA-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.41
Rot. Bonds1

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

2-oxo-1,3-oxazolidine-3-carbaldehyde (PubChem CID 19736925) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 2-oxo-1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1,3-oxazolidine-3-carbaldehyde
PubChem CID19736925
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name2-oxo-1,3-oxazolidine-3-carbaldehyde
SMILESO=CN1CCOC1=O
InChIInChI=1S/C4H5NO3/c6-3-5-1-2-8-4(5)7/h3H,1-2H2
InChIKeyJRZSJAZVEWNVFA-UHFFFAOYSA-N
XLogP-0.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.41
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 2-oxo-1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of 2-oxo-1,3-oxazolidine-3-carbaldehyde (CID 19736925) is 2-oxo-1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1,3-oxazolidine-3-carbaldehyde is O=CN1CCOC1=O.
What is the InChIKey of 2-oxo-1,3-oxazolidine-3-carbaldehyde?
The InChIKey is JRZSJAZVEWNVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-5-1-2-8-4(5)7/h3H,1-2H2.
What are the key properties of 2-oxo-1,3-oxazolidine-3-carbaldehyde?
2-oxo-1,3-oxazolidine-3-carbaldehyde has a molecular weight of 115.09 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 19736925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).