3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one

C5H7NO3 — CID 76569202

IUPAC3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one
SMILESC=C(O)N1CCOC1=O
InChIInChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h7H,1-3H2
InChIKeyWQNWYFNMWAJYKV-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.47
Rot. Bonds1

About 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one

3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one (PubChem CID 76569202) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one
PubChem CID76569202
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one
SMILESC=C(O)N1CCOC1=O
InChIInChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h7H,1-3H2
InChIKeyWQNWYFNMWAJYKV-UHFFFAOYSA-N
XLogP0.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one (CID 76569202) is 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one is C=C(O)N1CCOC1=O.
What is the InChIKey of 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one?
The InChIKey is WQNWYFNMWAJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h7H,1-3H2.
What are the key properties of 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one?
3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one has a molecular weight of 129.11 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 76569202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).