2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde

C8H11NO3 — CID 91990513

IUPAC2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde
SMILESCC(C)C1NC(=CC=O)OC1=O
InChIInChI=1S/C8H11NO3/c1-5(2)7-8(11)12-6(9-7)3-4-10/h3-5,7,9H,1-2H3
InChIKeyOCWUJSBIGSLEIV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.20
Rot. Bonds2

About 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde

2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde (PubChem CID 91990513) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde.

Molecular Properties

Compound Name2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde
PubChem CID91990513
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde
SMILESCC(C)C1NC(=CC=O)OC1=O
InChIInChI=1S/C8H11NO3/c1-5(2)7-8(11)12-6(9-7)3-4-10/h3-5,7,9H,1-2H3
InChIKeyOCWUJSBIGSLEIV-UHFFFAOYSA-N
XLogP0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde?
The IUPAC name of 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde (CID 91990513) is 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde.
What is the SMILES notation for 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde?
The canonical SMILES for 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde is CC(C)C1NC(=CC=O)OC1=O.
What is the InChIKey of 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde?
The InChIKey is OCWUJSBIGSLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)7-8(11)12-6(9-7)3-4-10/h3-5,7,9H,1-2H3.
What are the key properties of 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde?
2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde has a molecular weight of 169.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde is sourced from PubChem (CID 91990513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).