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

C6H9NO3 — CID 55300873

IUPAC5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)NC1CO
InChIInChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)
InChIKeyBQBOIWRWDCJNHC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.36
Rot. Bonds2

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

5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 55300873) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID55300873
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)NC1CO
InChIInChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)
InChIKeyBQBOIWRWDCJNHC-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 55300873) is 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is C=CC1OC(=O)NC1CO.
What is the InChIKey of 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is BQBOIWRWDCJNHC-UHFFFAOYSA-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).
What are the key properties of 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
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 5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 55300873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).