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

C9H15NO3 — CID 105441594

IUPAC3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal
SMILESCC(C)C1CC(=O)N(CCC=O)O1
InChIInChI=1S/C9H15NO3/c1-7(2)8-6-9(12)10(13-8)4-3-5-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyWUUDADGEUZUDCG-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.76
Rot. Bonds4

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

3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal (PubChem CID 105441594) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal.

Molecular Properties

Compound Name3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal
PubChem CID105441594
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal
SMILESCC(C)C1CC(=O)N(CCC=O)O1
InChIInChI=1S/C9H15NO3/c1-7(2)8-6-9(12)10(13-8)4-3-5-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyWUUDADGEUZUDCG-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal?
The IUPAC name of 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal (CID 105441594) is 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal.
What is the SMILES notation for 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal?
The canonical SMILES for 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal is CC(C)C1CC(=O)N(CCC=O)O1.
What is the InChIKey of 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal?
The InChIKey is WUUDADGEUZUDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)8-6-9(12)10(13-8)4-3-5-11/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal?
3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal has a molecular weight of 185.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-5-propan-2-yl-1,2-oxazolidin-2-yl)propanal is sourced from PubChem (CID 105441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).