2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde

C8H15NO2 — CID 22971630

IUPAC2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
SMILESCN1C(CC=O)COC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)9(3)7(4-5-10)6-11-8/h5,7H,4,6H2,1-3H3
InChIKeyHYZNMKXXPYJMLW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde

2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde (PubChem CID 22971630) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
PubChem CID22971630
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
SMILESCN1C(CC=O)COC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)9(3)7(4-5-10)6-11-8/h5,7H,4,6H2,1-3H3
InChIKeyHYZNMKXXPYJMLW-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
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-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde?
The IUPAC name of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde (CID 22971630) is 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde is CN1C(CC=O)COC1(C)C.
What is the InChIKey of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde?
The InChIKey is HYZNMKXXPYJMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)9(3)7(4-5-10)6-11-8/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde?
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde is sourced from PubChem (CID 22971630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).