3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal

C6H9NO3 — CID 155205020

IUPAC3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal
SMILESO=CCC[C@@H]1NCOC1=O
InChIInChI=1S/C6H9NO3/c8-3-1-2-5-6(9)10-4-7-5/h3,5,7H,1-2,4H2/t5-/m0/s1
InChIKeySFYCYGCCKJQPOY-YFKPBYRVSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds3

About 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal

3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal (PubChem CID 155205020) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal.

Molecular Properties

Compound Name3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal
PubChem CID155205020
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal
SMILESO=CCC[C@@H]1NCOC1=O
InChIInChI=1S/C6H9NO3/c8-3-1-2-5-6(9)10-4-7-5/h3,5,7H,1-2,4H2/t5-/m0/s1
InChIKeySFYCYGCCKJQPOY-YFKPBYRVSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal?
The IUPAC name of 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal (CID 155205020) is 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal.
What is the SMILES notation for 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal?
The canonical SMILES for 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal is O=CCC[C@@H]1NCOC1=O.
What is the InChIKey of 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal?
The InChIKey is SFYCYGCCKJQPOY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c8-3-1-2-5-6(9)10-4-7-5/h3,5,7H,1-2,4H2/t5-/m0/s1.
What are the key properties of 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal?
3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal has a molecular weight of 143.14 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-5-oxo-1,3-oxazolidin-4-yl]propanal is sourced from PubChem (CID 155205020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).