Methyl nitro(1,3-oxazinan-2-ylidene)acetate

HCID 71444191

Notes Reactions

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Basic information

CAS: 57355-05-2
Standard SMILES: COC(=O)C(=C1NCCCO1)[N+](=O)[O-]
InChIKey: HSWFEAUCTMHCKV-UHFFFAOYSA-N
Molecular formula: C7H10N2O5
Average molar mass: 202.16 g/mol
Monoisotopic mass: 202.05897142

Names & identifiers

Preferred name: Methyl nitro(1,3-oxazinan-2-ylidene)acetate
IUPAC: methyl 2-nitro-2-(1,3-oxazinan-2-ylidene)acetate

Names & synonyms

57355-05-2Methyl nitro(1,3-oxazinan-2-ylidene)acetateSCHEMBL11825865DTXSID00852985HSWFEAUCTMHCKV-UHFFFAOYSA-Nmethyl nitro(tetrahydro-2H-1,3-oxazin-2-ylidene)acetate

Database identifiers

CAS: 57355-05-2
PubChem CID: 71444191
DTXSID: DTXSID00852985

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 93.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 280

Related reactions

4 records

New reaction record

HRID 207970As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1114608As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1283936As productuspto-grants-1976_08

HRID 1283937As reactantuspto-grants-1976_08

Compound notes

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