(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C6H9NO3 — CID 55300645

IUPAC(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N[C@@H]1CO
InChIInChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)/t4-,5+/m1/s1
InChIKeyBQBOIWRWDCJNHC-UHNVWZDZSA-N
MW143.14 g/mol
LogP-0.36
Rot. Bonds2

About (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 55300645) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID55300645
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N[C@@H]1CO
InChIInChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)/t4-,5+/m1/s1
InChIKeyBQBOIWRWDCJNHC-UHNVWZDZSA-N
XLogP-0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one 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 (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 55300645) is (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is C=C[C@@H]1OC(=O)N[C@@H]1CO.
What is the InChIKey of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is BQBOIWRWDCJNHC-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)/t4-,5+/m1/s1.
What are the key properties of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 55300645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).