5-methyl-1,3-oxazolidine-2-carbaldehyde

C5H9NO2 — CID 174455214

IUPAC5-methyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC1CNC(C=O)O1
InChIInChI=1S/C5H9NO2/c1-4-2-6-5(3-7)8-4/h3-6H,2H2,1H3
InChIKeyJWYVEBABZGQVLN-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About 5-methyl-1,3-oxazolidine-2-carbaldehyde

5-methyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174455214) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 5-methyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174455214
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name5-methyl-1,3-oxazolidine-2-carbaldehyde
SMILESCC1CNC(C=O)O1
InChIInChI=1S/C5H9NO2/c1-4-2-6-5(3-7)8-4/h3-6H,2H2,1H3
InChIKeyJWYVEBABZGQVLN-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
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 5-methyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 5-methyl-1,3-oxazolidine-2-carbaldehyde (CID 174455214) is 5-methyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 5-methyl-1,3-oxazolidine-2-carbaldehyde is CC1CNC(C=O)O1.
What is the InChIKey of 5-methyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is JWYVEBABZGQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-2-6-5(3-7)8-4/h3-6H,2H2,1H3.
What are the key properties of 5-methyl-1,3-oxazolidine-2-carbaldehyde?
5-methyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174455214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).