3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one

C11H15NO4 — CID 118366705

IUPAC3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/C1CCOCC1)N1CCOC1=O
InChIInChI=1S/C11H15NO4/c13-10(12-5-8-16-11(12)14)2-1-9-3-6-15-7-4-9/h1-2,9H,3-8H2/b2-1+
InChIKeyCZTOVFICLFMTPP-OWOJBTEDSA-N
MW225.24 g/mol
LogP0.95
Rot. Bonds2

About 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 118366705) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID118366705
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/C1CCOCC1)N1CCOC1=O
InChIInChI=1S/C11H15NO4/c13-10(12-5-8-16-11(12)14)2-1-9-3-6-15-7-4-9/h1-2,9H,3-8H2/b2-1+
InChIKeyCZTOVFICLFMTPP-OWOJBTEDSA-N
XLogP0.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 118366705) is 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/C1CCOCC1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is CZTOVFICLFMTPP-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H15NO4/c13-10(12-5-8-16-11(12)14)2-1-9-3-6-15-7-4-9/h1-2,9H,3-8H2/b2-1+.
What are the key properties of 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 225.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(oxan-4-yl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118366705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).