5-ethenyl-3-methyl-1,3-oxazolidin-2-one

C6H9NO2 — CID 10351709

IUPAC5-ethenyl-3-methyl-1,3-oxazolidin-2-one
SMILESC=CC1CN(C)C(=O)O1
InChIInChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3,5H,1,4H2,2H3
InChIKeyYZJNUABVNAFQFK-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.62
Rot. Bonds1

About 5-ethenyl-3-methyl-1,3-oxazolidin-2-one

5-ethenyl-3-methyl-1,3-oxazolidin-2-one (PubChem CID 10351709) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-3-methyl-1,3-oxazolidin-2-one
PubChem CID10351709
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-ethenyl-3-methyl-1,3-oxazolidin-2-one
SMILESC=CC1CN(C)C(=O)O1
InChIInChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3,5H,1,4H2,2H3
InChIKeyYZJNUABVNAFQFK-UHFFFAOYSA-N
XLogP0.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethenyl-3-methyl-1,3-oxazolidin-2-one (CID 10351709) is 5-ethenyl-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethenyl-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethenyl-3-methyl-1,3-oxazolidin-2-one is C=CC1CN(C)C(=O)O1.
What is the InChIKey of 5-ethenyl-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is YZJNUABVNAFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-5-4-7(2)6(8)9-5/h3,5H,1,4H2,2H3.
What are the key properties of 5-ethenyl-3-methyl-1,3-oxazolidin-2-one?
5-ethenyl-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10351709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).