1,3-oxazolidine-3-carbaldehyde

C4H7NO2 — CID 87378580

IUPAC1,3-oxazolidine-3-carbaldehyde
SMILESO=CN1CCOC1
InChIInChI=1S/C4H7NO2/c6-3-5-1-2-7-4-5/h3H,1-2,4H2
InChIKeyOTMRLNLJCUBZKS-UHFFFAOYSA-N
MW101.11 g/mol
LogP-0.57
Rot. Bonds1

About 1,3-oxazolidine-3-carbaldehyde

1,3-oxazolidine-3-carbaldehyde (PubChem CID 87378580) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name1,3-oxazolidine-3-carbaldehyde
PubChem CID87378580
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name1,3-oxazolidine-3-carbaldehyde
SMILESO=CN1CCOC1
InChIInChI=1S/C4H7NO2/c6-3-5-1-2-7-4-5/h3H,1-2,4H2
InChIKeyOTMRLNLJCUBZKS-UHFFFAOYSA-N
XLogP-0.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of 1,3-oxazolidine-3-carbaldehyde (CID 87378580) is 1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for 1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for 1,3-oxazolidine-3-carbaldehyde is O=CN1CCOC1.
What is the InChIKey of 1,3-oxazolidine-3-carbaldehyde?
The InChIKey is OTMRLNLJCUBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-5-1-2-7-4-5/h3H,1-2,4H2.
What are the key properties of 1,3-oxazolidine-3-carbaldehyde?
1,3-oxazolidine-3-carbaldehyde has a molecular weight of 101.11 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 87378580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).