3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C6H8ClNO3 — CID 14153699

IUPAC3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCl)C1=O
InChIInChI=1S/C6H8ClNO3/c1-6(2)4(9)8(3-7)5(10)11-6/h3H2,1-2H3
InChIKeyWEOMPUDJZOZNAW-UHFFFAOYSA-N
MW177.59 g/mol
LogP0.94
Rot. Bonds1

About 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 14153699) has the molecular formula C6H8ClNO3 and a molecular weight of 177.59 g/mol. Its IUPAC name is 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID14153699
Molecular FormulaC6H8ClNO3
Molecular Weight177.59 g/mol
Exact Mass177.02
IUPAC Name3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCl)C1=O
InChIInChI=1S/C6H8ClNO3/c1-6(2)4(9)8(3-7)5(10)11-6/h3H2,1-2H3
InChIKeyWEOMPUDJZOZNAW-UHFFFAOYSA-N
XLogP0.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 14153699) is 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CCl)C1=O.
What is the InChIKey of 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is WEOMPUDJZOZNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3/c1-6(2)4(9)8(3-7)5(10)11-6/h3H2,1-2H3.
What are the key properties of 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 177.59 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 14153699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).