3-prop-2-enyl-1,3-oxazolidin-2-one

C6H9NO2 — CID 11446331

IUPAC3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CCOC1=O
InChIInChI=1S/C6H9NO2/c1-2-3-7-4-5-9-6(7)8/h2H,1,3-5H2
InChIKeyWRNODTYYEUSETK-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.62
Rot. Bonds2

About 3-prop-2-enyl-1,3-oxazolidin-2-one

3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11446331) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11446331
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CCOC1=O
InChIInChI=1S/C6H9NO2/c1-2-3-7-4-5-9-6(7)8/h2H,1,3-5H2
InChIKeyWRNODTYYEUSETK-UHFFFAOYSA-N
XLogP0.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11446331) is 3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1CCOC1=O.
What is the InChIKey of 3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is WRNODTYYEUSETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-7-4-5-9-6(7)8/h2H,1,3-5H2.
What are the key properties of 3-prop-2-enyl-1,3-oxazolidin-2-one?
3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11446331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).