1-ME-2-NO2-5-Vinyl imidazole

HCID 93215

Notes Reactions

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Basic information

CAS: 39070-08-1
Standard SMILES: C=Cc1cnc([N+](=O)[O-])n1C
InChIKey: NZPWAZZKZMQLTL-UHFFFAOYSA-N
Molecular formula: C6H7N3O2
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.05382648

Names & identifiers

Preferred name: 1-ME-2-NO2-5-Vinyl imidazole
IUPAC: 5-ethenyl-1-methyl-2-nitroimidazole

Names & synonyms

DTXSID708788991-ME-2-NO2-5-VINYL IMIDAZOLERefChem:1055687DTXCID4010169271H-Imidazole, 1-methyl-2-nitro-5-vinyl-39070-08-11H-Imidazole, 5-ethenyl-1-methyl-2-nitro-MLS003115676MEV1-Methyl-2-nitro-5-vinylimidazole1-Methyl-2-nitro-5-vinyl-1H-imidazoleL 8580

Show more names

NSC 294743BRN 09574725-ethenyl-1-methyl-2-nitro-1H-imidazole5-23-05-00391 (Beilstein Handbook Reference)CHEMBL1869617SCHEMBL11775453NZPWAZZKZMQLTL-UHFFFAOYSA-NNSC294743

Database identifiers

CAS: 39070-08-1
PubChem CID: 93215
DTXSID: DTXSID70878899
ChEMBL: CHEMBL1869617
Nikkaji: J54.032C

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 177

Related reactions

8 records

New reaction record

HRID 290305As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 958707As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1075962As productuspto-grants-1976_05

HRID 1075963As reactantuspto-grants-1976_05

HRID 1288025As productuspto-grants-1976_10

HRID 1288026As reactantuspto-grants-1976_10

HRID 1288028As reactantuspto-grants-1976_10

HRID 1537506As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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