3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one

C11H15NO3 — CID 166438971

IUPAC3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h4-7H,2-3,8-9H2,1H3/b5-4+,7-6+
InChIKeyXPSOMQSAMSPLDF-YTXTXJHMSA-N
MW209.25 g/mol
LogP1.88
Rot. Bonds4

About 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one

3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one (PubChem CID 166438971) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one
PubChem CID166438971
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C11H15NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h4-7H,2-3,8-9H2,1H3/b5-4+,7-6+
InChIKeyXPSOMQSAMSPLDF-YTXTXJHMSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one (CID 166438971) is 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one is CCC/C=C/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one?
The InChIKey is XPSOMQSAMSPLDF-YTXTXJHMSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-4-5-6-7-10(13)12-8-9-15-11(12)14/h4-7H,2-3,8-9H2,1H3/b5-4+,7-6+.
What are the key properties of 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one?
3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166438971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).