3-but-3-enoyl-1,3-oxazolidin-2-one

C7H8NO3+ — CID 135015962

IUPAC3-but-3-enoyl-1,3-oxazolidin-2-one
SMILESC=C[CH+]C(=O)N1CCOC1=O
InChIInChI=1S/C7H8NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,1,4-5H2/q+1
InChIKeyBUYQETGHECHXDR-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.36
Rot. Bonds2

About 3-but-3-enoyl-1,3-oxazolidin-2-one

3-but-3-enoyl-1,3-oxazolidin-2-one (PubChem CID 135015962) has the molecular formula C7H8NO3+ and a molecular weight of 154.14 g/mol. Its IUPAC name is 3-but-3-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-but-3-enoyl-1,3-oxazolidin-2-one
PubChem CID135015962
Molecular FormulaC7H8NO3+
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name3-but-3-enoyl-1,3-oxazolidin-2-one
SMILESC=C[CH+]C(=O)N1CCOC1=O
InChIInChI=1S/C7H8NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,1,4-5H2/q+1
InChIKeyBUYQETGHECHXDR-UHFFFAOYSA-N
XLogP0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-but-3-enoyl-1,3-oxazolidin-2-one (CID 135015962) is 3-but-3-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-but-3-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-but-3-enoyl-1,3-oxazolidin-2-one is C=C[CH+]C(=O)N1CCOC1=O.
What is the InChIKey of 3-but-3-enoyl-1,3-oxazolidin-2-one?
The InChIKey is BUYQETGHECHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,1,4-5H2/q+1.
What are the key properties of 3-but-3-enoyl-1,3-oxazolidin-2-one?
3-but-3-enoyl-1,3-oxazolidin-2-one has a molecular weight of 154.14 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).