1,3-oxazolidine-2-carbaldehyde

C4H7NO2 — CID 22602326

IUPAC1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NCCO1
InChIInChI=1S/C4H7NO2/c6-3-4-5-1-2-7-4/h3-5H,1-2H2
InChIKeyAPWORUOFRJOEKK-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.87
Rot. Bonds1

About 1,3-oxazolidine-2-carbaldehyde

1,3-oxazolidine-2-carbaldehyde (PubChem CID 22602326) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1,3-oxazolidine-2-carbaldehyde
PubChem CID22602326
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NCCO1
InChIInChI=1S/C4H7NO2/c6-3-4-5-1-2-7-4/h3-5H,1-2H2
InChIKeyAPWORUOFRJOEKK-UHFFFAOYSA-N
XLogP-0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
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 1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 1,3-oxazolidine-2-carbaldehyde (CID 22602326) is 1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 1,3-oxazolidine-2-carbaldehyde is O=CC1NCCO1.
What is the InChIKey of 1,3-oxazolidine-2-carbaldehyde?
The InChIKey is APWORUOFRJOEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-4-5-1-2-7-4/h3-5H,1-2H2.
What are the key properties of 1,3-oxazolidine-2-carbaldehyde?
1,3-oxazolidine-2-carbaldehyde has a molecular weight of 101.10 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 22602326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).