O-methyl-N-nitroisourea

HCID 136196430

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=N)N[N+](=O)[O-]
InChIKey: GLIKYKRDYKKEBJ-UHFFFAOYSA-N
Molecular formula: C2H5N3O3
Average molar mass: 119.08 g/mol
Monoisotopic mass: 119.03309103

Names & identifiers

Preferred name: O-methyl-N-nitroisourea
IUPAC: methyl N-nitrocarbamimidate

Names & synonyms

O-methyl-N-nitroisoureaMethyl nitrocarbamimidate1-Nitro-2-methylisoureaSCHEMBL1601687GLIKYKRDYKKEBJ-UHFFFAOYSA-NDB-214300

Database identifiers

PubChem CID: 136196430
Nikkaji: J1.484.286A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 90.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 106

Related reactions

44 records

New reaction record

HRID 120391As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125554As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 211118As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 227839As reactantuspto-grants-2009_07

HRID 227841As reactantuspto-grants-2009_07

HRID 304773As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 314509As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 613723As reactantuspto-grants-1999_12

Compound notes

Loading…