3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one

C7H9NO3 — CID 5365845

IUPAC3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C7H9NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,4-5H2,1H3/b3-2+
InChIKeyPNPVETUIPHVXGI-NSCUHMNNSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds1

About 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 5365845) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID5365845
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C7H9NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,4-5H2,1H3/b3-2+
InChIKeyPNPVETUIPHVXGI-NSCUHMNNSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-but-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one (CID 5365845) is 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one is C/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is PNPVETUIPHVXGI-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 155.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 5365845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).