3-nitroso-1,3-oxazinan-2-one

C4H6N2O3 — CID 13415149

IUPAC3-nitroso-1,3-oxazinan-2-one
SMILESO=NN1CCCOC1=O
InChIInChI=1S/C4H6N2O3/c7-4-6(5-8)2-1-3-9-4/h1-3H2
InChIKeyXBQUYQZTXBFDMO-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.51
Rot. Bonds1

About 3-nitroso-1,3-oxazinan-2-one

3-nitroso-1,3-oxazinan-2-one (PubChem CID 13415149) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3-nitroso-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-nitroso-1,3-oxazinan-2-one
PubChem CID13415149
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name3-nitroso-1,3-oxazinan-2-one
SMILESO=NN1CCCOC1=O
InChIInChI=1S/C4H6N2O3/c7-4-6(5-8)2-1-3-9-4/h1-3H2
InChIKeyXBQUYQZTXBFDMO-UHFFFAOYSA-N
XLogP0.51
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1,3-oxazinan-2-one?
The IUPAC name of 3-nitroso-1,3-oxazinan-2-one (CID 13415149) is 3-nitroso-1,3-oxazinan-2-one.
What is the SMILES notation for 3-nitroso-1,3-oxazinan-2-one?
The canonical SMILES for 3-nitroso-1,3-oxazinan-2-one is O=NN1CCCOC1=O.
What is the InChIKey of 3-nitroso-1,3-oxazinan-2-one?
The InChIKey is XBQUYQZTXBFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-4-6(5-8)2-1-3-9-4/h1-3H2.
What are the key properties of 3-nitroso-1,3-oxazinan-2-one?
3-nitroso-1,3-oxazinan-2-one has a molecular weight of 130.10 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1,3-oxazinan-2-one is sourced from PubChem (CID 13415149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).