3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde

C6H11NO2 — CID 44558822

IUPAC3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde
SMILESCC1NOC(C)C1C=O
InChIInChI=1S/C6H11NO2/c1-4-6(3-8)5(2)9-7-4/h3-7H,1-2H3
InChIKeyIDCLCMLPSOWEJW-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.11
Rot. Bonds1

About 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde

3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde (PubChem CID 44558822) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde
PubChem CID44558822
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde
SMILESCC1NOC(C)C1C=O
InChIInChI=1S/C6H11NO2/c1-4-6(3-8)5(2)9-7-4/h3-7H,1-2H3
InChIKeyIDCLCMLPSOWEJW-UHFFFAOYSA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.11
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 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde (CID 44558822) is 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde is CC1NOC(C)C1C=O.
What is the InChIKey of 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde?
The InChIKey is IDCLCMLPSOWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(3-8)5(2)9-7-4/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde?
3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 44558822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).