chempirical

4-(2-Nitrovinyl)indole

C10H8N2O2CAS 49839-99-8188.19 g/mol

Open in Covalent MOL file
NHN+OO−
AlkeneNitro

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
logP
2.42Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Double bonds
ZE/Z, in SMILES order

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
49839-99-8
SMILES
C1=CC(=C2C=CNC2=C1)/C=C\[N+](=O)[O-]
InChIKey
DQVWAEMRCAYLKH-ALCCZGGFSA-N
InChI
InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5-

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Names and synonyms

1 names
  • 3-(2-Nitrovinylindole)

Work with 4-(2-Nitrovinyl)indole

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

Indole-4-carboxaldehyde1074-86-854 % similar 1-(2-Chlorophenyl)-2-nitroethylene3156-34-151 % similar 4-Nitroindole4769-97-550 % similar 2-Methoxy-β-nitrostyrene3316-24-347 % similar 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-545 % similar β-Nitrostyrene102-96-545 % similar trans-4-Methyl-beta-nitrostyrene5153-68-441 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-041 % similar

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

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0

Elsewhere

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