3-oxidodioxazolidine

C2H4NO3- — CID 173014127

IUPAC3-oxidodioxazolidine
SMILES[O-]N1CCOO1
InChIInChI=1S/C2H4NO3/c4-3-1-2-5-6-3/h1-2H2/q-1
InChIKeyCSFKVFPBLVHIHS-UHFFFAOYSA-N
MW90.06 g/mol
LogP-0.34
Rot. Bonds

About 3-oxidodioxazolidine

3-oxidodioxazolidine (PubChem CID 173014127) has the molecular formula C2H4NO3- and a molecular weight of 90.06 g/mol. Its IUPAC name is 3-oxidodioxazolidine.

Molecular Properties

Compound Name3-oxidodioxazolidine
PubChem CID173014127
Molecular FormulaC2H4NO3-
Molecular Weight90.06 g/mol
Exact Mass90.02
IUPAC Name3-oxidodioxazolidine
SMILES[O-]N1CCOO1
InChIInChI=1S/C2H4NO3/c4-3-1-2-5-6-3/h1-2H2/q-1
InChIKeyCSFKVFPBLVHIHS-UHFFFAOYSA-N
XLogP-0.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.06
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxidodioxazolidine?
The IUPAC name of 3-oxidodioxazolidine (CID 173014127) is 3-oxidodioxazolidine.
What is the SMILES notation for 3-oxidodioxazolidine?
The canonical SMILES for 3-oxidodioxazolidine is [O-]N1CCOO1.
What is the InChIKey of 3-oxidodioxazolidine?
The InChIKey is CSFKVFPBLVHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO3/c4-3-1-2-5-6-3/h1-2H2/q-1.
What are the key properties of 3-oxidodioxazolidine?
3-oxidodioxazolidine has a molecular weight of 90.06 g/mol, XLogP of -0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxidodioxazolidine is sourced from PubChem (CID 173014127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).