3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one

C10H11NO4 — CID 135056977

IUPAC3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1C[C@H]2C=C[C@H](O2)C1N1CCOC1=O
InChIInChI=1S/C10H11NO4/c12-7-5-6-1-2-8(15-6)9(7)11-3-4-14-10(11)13/h1-2,6,8-9H,3-5H2/t6-,8+,9?/m1/s1
InChIKeyIHYRHFVNVAOWIQ-QREJWATPSA-N
MW209.20 g/mol
LogP0.10
Rot. Bonds1

About 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one

3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 135056977) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID135056977
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1C[C@H]2C=C[C@H](O2)C1N1CCOC1=O
InChIInChI=1S/C10H11NO4/c12-7-5-6-1-2-8(15-6)9(7)11-3-4-14-10(11)13/h1-2,6,8-9H,3-5H2/t6-,8+,9?/m1/s1
InChIKeyIHYRHFVNVAOWIQ-QREJWATPSA-N
XLogP0.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one (CID 135056977) is 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one is O=C1C[C@H]2C=C[C@H](O2)C1N1CCOC1=O.
What is the InChIKey of 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is IHYRHFVNVAOWIQ-QREJWATPSA-N. The full InChI is InChI=1S/C10H11NO4/c12-7-5-6-1-2-8(15-6)9(7)11-3-4-14-10(11)13/h1-2,6,8-9H,3-5H2/t6-,8+,9?/m1/s1.
What are the key properties of 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one?
3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 209.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135056977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).