3-hex-5-en-3-yl-1,3-oxazolidin-2-one

C9H15NO2 — CID 10678717

IUPAC3-hex-5-en-3-yl-1,3-oxazolidin-2-one
SMILESC=CCC(CC)N1CCOC1=O
InChIInChI=1S/C9H15NO2/c1-3-5-8(4-2)10-6-7-12-9(10)11/h3,8H,1,4-7H2,2H3
InChIKeyFUXYVFFTOHCLJF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds4

About 3-hex-5-en-3-yl-1,3-oxazolidin-2-one

3-hex-5-en-3-yl-1,3-oxazolidin-2-one (PubChem CID 10678717) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-hex-5-en-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-hex-5-en-3-yl-1,3-oxazolidin-2-one
PubChem CID10678717
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-hex-5-en-3-yl-1,3-oxazolidin-2-one
SMILESC=CCC(CC)N1CCOC1=O
InChIInChI=1S/C9H15NO2/c1-3-5-8(4-2)10-6-7-12-9(10)11/h3,8H,1,4-7H2,2H3
InChIKeyFUXYVFFTOHCLJF-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
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-hex-5-en-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-hex-5-en-3-yl-1,3-oxazolidin-2-one (CID 10678717) is 3-hex-5-en-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-hex-5-en-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-hex-5-en-3-yl-1,3-oxazolidin-2-one is C=CCC(CC)N1CCOC1=O.
What is the InChIKey of 3-hex-5-en-3-yl-1,3-oxazolidin-2-one?
The InChIKey is FUXYVFFTOHCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-8(4-2)10-6-7-12-9(10)11/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-hex-5-en-3-yl-1,3-oxazolidin-2-one?
3-hex-5-en-3-yl-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-5-en-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10678717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).