tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate

C12H20N2O4 — CID 54460263

IUPACtert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate
SMILESC=CC(CNC(=O)OC(C)(C)C)N1CCOC1=O
InChIInChI=1S/C12H20N2O4/c1-5-9(14-6-7-17-11(14)16)8-13-10(15)18-12(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,13,15)
InChIKeyXBDDOVVXGAXIHK-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate

tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate (PubChem CID 54460263) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate
PubChem CID54460263
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate
SMILESC=CC(CNC(=O)OC(C)(C)C)N1CCOC1=O
InChIInChI=1S/C12H20N2O4/c1-5-9(14-6-7-17-11(14)16)8-13-10(15)18-12(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,13,15)
InChIKeyXBDDOVVXGAXIHK-UHFFFAOYSA-N
XLogP1.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate (CID 54460263) is tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate is C=CC(CNC(=O)OC(C)(C)C)N1CCOC1=O.
What is the InChIKey of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate?
The InChIKey is XBDDOVVXGAXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-9(14-6-7-17-11(14)16)8-13-10(15)18-12(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate?
tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate has a molecular weight of 256.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate is sourced from PubChem (CID 54460263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).