3-methyl-1,2,5-oxadiazolidine

C3H8N2O — CID 19688319

IUPAC3-methyl-1,2,5-oxadiazolidine
SMILESCC1CNON1
InChIInChI=1S/C3H8N2O/c1-3-2-4-6-5-3/h3-5H,2H2,1H3
InChIKeyKPJOZSXGVUKLPQ-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.59
Rot. Bonds

About 3-methyl-1,2,5-oxadiazolidine

3-methyl-1,2,5-oxadiazolidine (PubChem CID 19688319) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 3-methyl-1,2,5-oxadiazolidine.

Molecular Properties

Compound Name3-methyl-1,2,5-oxadiazolidine
PubChem CID19688319
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name3-methyl-1,2,5-oxadiazolidine
SMILESCC1CNON1
InChIInChI=1S/C3H8N2O/c1-3-2-4-6-5-3/h3-5H,2H2,1H3
InChIKeyKPJOZSXGVUKLPQ-UHFFFAOYSA-N
XLogP-0.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,5-oxadiazolidine?
The IUPAC name of 3-methyl-1,2,5-oxadiazolidine (CID 19688319) is 3-methyl-1,2,5-oxadiazolidine.
What is the SMILES notation for 3-methyl-1,2,5-oxadiazolidine?
The canonical SMILES for 3-methyl-1,2,5-oxadiazolidine is CC1CNON1.
What is the InChIKey of 3-methyl-1,2,5-oxadiazolidine?
The InChIKey is KPJOZSXGVUKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-3-2-4-6-5-3/h3-5H,2H2,1H3.
What are the key properties of 3-methyl-1,2,5-oxadiazolidine?
3-methyl-1,2,5-oxadiazolidine has a molecular weight of 88.11 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,5-oxadiazolidine is sourced from PubChem (CID 19688319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).