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

C6H9NO2 — CID 18442702

IUPAC5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1CNC(=O)O1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-7-6(8)9-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyOBYOBXWUPNLSFY-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.67
Rot. Bonds2

About 5-prop-2-enyl-1,3-oxazolidin-2-one

5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 18442702) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID18442702
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1CNC(=O)O1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-7-6(8)9-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyOBYOBXWUPNLSFY-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
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-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-prop-2-enyl-1,3-oxazolidin-2-one (CID 18442702) is 5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-prop-2-enyl-1,3-oxazolidin-2-one is C=CCC1CNC(=O)O1.
What is the InChIKey of 5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is OBYOBXWUPNLSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-5-4-7-6(8)9-5/h2,5H,1,3-4H2,(H,7,8).
What are the key properties of 5-prop-2-enyl-1,3-oxazolidin-2-one?
5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18442702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).