3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal

C9H15NO3 — CID 88690546

IUPAC3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal
SMILESCC(C)[C@H]1COC(=O)N1CCC=O
InChIInChI=1S/C9H15NO3/c1-7(2)8-6-13-9(12)10(8)4-3-5-11/h5,7-8H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyCCGONLOUXGBDBW-MRVPVSSYSA-N
MW185.22 g/mol
LogP1.05
Rot. Bonds4

About 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal

3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal (PubChem CID 88690546) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal.

Molecular Properties

Compound Name3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal
PubChem CID88690546
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal
SMILESCC(C)[C@H]1COC(=O)N1CCC=O
InChIInChI=1S/C9H15NO3/c1-7(2)8-6-13-9(12)10(8)4-3-5-11/h5,7-8H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyCCGONLOUXGBDBW-MRVPVSSYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal 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 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal?
The IUPAC name of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal (CID 88690546) is 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal.
What is the SMILES notation for 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal?
The canonical SMILES for 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal is CC(C)[C@H]1COC(=O)N1CCC=O.
What is the InChIKey of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal?
The InChIKey is CCGONLOUXGBDBW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)8-6-13-9(12)10(8)4-3-5-11/h5,7-8H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal?
3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal has a molecular weight of 185.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propanal is sourced from PubChem (CID 88690546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).