chempirical

2-Nitro-1-propene

C3H5NO2CAS 4749-28-487.08 g/mol

Open in Covalent MOL file
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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

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

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

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 2-Oxazolidone497-25-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook