3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride

C6H10ClNO3 — CID 140541883

IUPAC3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCN1C(=O)OC(C)(C)C1=O.Cl
InChIInChI=1S/C6H9NO3.ClH/c1-6(2)4(8)7(3)5(9)10-6;/h1-3H3;1H
InChIKeyXSHVOIUKROEZQZ-UHFFFAOYSA-N
MW179.60 g/mol
LogP0.80
Rot. Bonds

About 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride

3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 140541883) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
PubChem CID140541883
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCN1C(=O)OC(C)(C)C1=O.Cl
InChIInChI=1S/C6H9NO3.ClH/c1-6(2)4(8)7(3)5(9)10-6;/h1-3H3;1H
InChIKeyXSHVOIUKROEZQZ-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride (CID 140541883) is 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride is CN1C(=O)OC(C)(C)C1=O.Cl.
What is the InChIKey of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride?
The InChIKey is XSHVOIUKROEZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.ClH/c1-6(2)4(8)7(3)5(9)10-6;/h1-3H3;1H.
What are the key properties of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride?
3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 179.60 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 140541883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).