1,3,5-dioxazinan-2-one

C3H5NO3 — CID 150843215

IUPAC1,3,5-dioxazinan-2-one
SMILESO=C1OCNCO1
InChIInChI=1S/C3H5NO3/c5-3-6-1-4-2-7-3/h4H,1-2H2
InChIKeyKOLBCBRVTFEPNM-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.34
Rot. Bonds

About 1,3,5-dioxazinan-2-one

1,3,5-dioxazinan-2-one (PubChem CID 150843215) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is 1,3,5-dioxazinan-2-one.

Molecular Properties

Compound Name1,3,5-dioxazinan-2-one
PubChem CID150843215
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name1,3,5-dioxazinan-2-one
SMILESO=C1OCNCO1
InChIInChI=1S/C3H5NO3/c5-3-6-1-4-2-7-3/h4H,1-2H2
InChIKeyKOLBCBRVTFEPNM-UHFFFAOYSA-N
XLogP-0.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3,5-dioxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-dioxazinan-2-one?
The IUPAC name of 1,3,5-dioxazinan-2-one (CID 150843215) is 1,3,5-dioxazinan-2-one.
What is the SMILES notation for 1,3,5-dioxazinan-2-one?
The canonical SMILES for 1,3,5-dioxazinan-2-one is O=C1OCNCO1.
What is the InChIKey of 1,3,5-dioxazinan-2-one?
The InChIKey is KOLBCBRVTFEPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c5-3-6-1-4-2-7-3/h4H,1-2H2.
What are the key properties of 1,3,5-dioxazinan-2-one?
1,3,5-dioxazinan-2-one has a molecular weight of 103.08 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-dioxazinan-2-one is sourced from PubChem (CID 150843215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).