2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde

C9H15NO3 — CID 105441598

IUPAC2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde
SMILESCC(C)C1(C)CC(=O)N(CC=O)O1
InChIInChI=1S/C9H15NO3/c1-7(2)9(3)6-8(12)10(13-9)4-5-11/h5,7H,4,6H2,1-3H3
InChIKeyHITJSJYACFRTNI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.76
Rot. Bonds3

About 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde

2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde (PubChem CID 105441598) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde
PubChem CID105441598
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde
SMILESCC(C)C1(C)CC(=O)N(CC=O)O1
InChIInChI=1S/C9H15NO3/c1-7(2)9(3)6-8(12)10(13-9)4-5-11/h5,7H,4,6H2,1-3H3
InChIKeyHITJSJYACFRTNI-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.76
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-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde (CID 105441598) is 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde is CC(C)C1(C)CC(=O)N(CC=O)O1.
What is the InChIKey of 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde?
The InChIKey is HITJSJYACFRTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)9(3)6-8(12)10(13-9)4-5-11/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde?
2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde has a molecular weight of 185.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)acetaldehyde is sourced from PubChem (CID 105441598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).