2-Nitro-1-propene

C3H5NO2CAS 4749-28-487.08 g/mol

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N+OO−
AlkeneNitro

Properties

Molecular formula
C3H5NO2
Molar mass
87.08 g/mol
Exact mass
87.0320 Da
logP
0.80Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
4749-28-4
SMILES
CC(=C)[N+](=O)[O-]
InChIKey
GXEXLSDIVMVEFZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO2/c1-3(2)4(5)6/h1H2,2H3

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Names and synonyms

6 names
  • 2-Nitroprop-1-ene
  • Propene, 2-nitro-
  • 2-Nitropropene
  • 2-Nitro-prop-1-ene
  • 2-Nitropropylene
  • 2-Nitro-propene

Reactions

Work with 2-Nitro-1-propene

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

3,4-Dinitro-3-hexene53684-54-138 % similar Fox-7145250-81-335 % similar Phenyl-2-nitropropene705-60-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Oxopropanal 1-oxime306-44-5 Isonitrosoacetone31915-82-9 2-Oxazolidone497-25-6

Elsewhere

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