3-tert-butyl-1,3-oxazolidine-2,5-dione

C7H11NO3 — CID 637764

IUPAC3-tert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)N1CC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2,3)8-4-5(9)11-6(8)10/h4H2,1-3H3
InChIKeyRRVWHHCRXXGUSD-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds

About 3-tert-butyl-1,3-oxazolidine-2,5-dione

3-tert-butyl-1,3-oxazolidine-2,5-dione (PubChem CID 637764) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-tert-butyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1,3-oxazolidine-2,5-dione
PubChem CID637764
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-tert-butyl-1,3-oxazolidine-2,5-dione
SMILESCC(C)(C)N1CC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-7(2,3)8-4-5(9)11-6(8)10/h4H2,1-3H3
InChIKeyRRVWHHCRXXGUSD-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1,3-oxazolidine-2,5-dione (CID 637764) is 3-tert-butyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1,3-oxazolidine-2,5-dione is CC(C)(C)N1CC(=O)OC1=O.
What is the InChIKey of 3-tert-butyl-1,3-oxazolidine-2,5-dione?
The InChIKey is RRVWHHCRXXGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2,3)8-4-5(9)11-6(8)10/h4H2,1-3H3.
What are the key properties of 3-tert-butyl-1,3-oxazolidine-2,5-dione?
3-tert-butyl-1,3-oxazolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 637764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).