1-Methyl-2-(2-nitroethenyl)-pyrrole

C₇H₈N₂O₂CAS 3156-50-1152.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
logP: 1.27Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3156-50-1

SMILES

CN1C=CC=C1C=C[N+](=O)[O-]

InChIKey

NHVYARKRYOUKFA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-8-5-2-3-7(8)4-6-9(10)11/h2-6H,1H3

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Names and synonyms

1 names

1-Methyl-2-(2-nitroethenyl)-1H-pyrrole

Work with 1-Methyl-2-(2-nitroethenyl)-pyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

β-Nitrostyrene102-96-549 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-147 % similar 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-545 % similar trans-4-Methyl-beta-nitrostyrene5153-68-445 % similar 1-(2-Chlorophenyl)-2-nitroethylene3156-34-144 % similar (E)-2-(2-Nitroethenyl)thiophene34312-77-144 % similar 2-(2-Nitroethenyl)furan699-18-344 % similar 2-(2-Nitroethenyl)thiophene874-84-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 N-(Hydroxymethyl)nicotinamide3569-99-1

Elsewhere

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