3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine

C4H9N2O2- — CID 59104122

IUPAC3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine
SMILESCC1NON([O-])C1C
InChIInChI=1S/C4H9N2O2/c1-3-4(2)6(7)8-5-3/h3-5H,1-2H3/q-1
InChIKeyXQOQDRWNMPAPDY-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.01
Rot. Bonds

About 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine

3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine (PubChem CID 59104122) has the molecular formula C4H9N2O2- and a molecular weight of 117.13 g/mol. Its IUPAC name is 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine.

Molecular Properties

Compound Name3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine
PubChem CID59104122
Molecular FormulaC4H9N2O2-
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine
SMILESCC1NON([O-])C1C
InChIInChI=1S/C4H9N2O2/c1-3-4(2)6(7)8-5-3/h3-5H,1-2H3/q-1
InChIKeyXQOQDRWNMPAPDY-UHFFFAOYSA-N
XLogP0.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine?
The IUPAC name of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine (CID 59104122) is 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine.
What is the SMILES notation for 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine?
The canonical SMILES for 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine is CC1NON([O-])C1C.
What is the InChIKey of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine?
The InChIKey is XQOQDRWNMPAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O2/c1-3-4(2)6(7)8-5-3/h3-5H,1-2H3/q-1.
What are the key properties of 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine?
3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine has a molecular weight of 117.13 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-oxido-1,2,5-oxadiazolidine is sourced from PubChem (CID 59104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).