chempirical

3-(Dimethylamino)-2-propenal

C5H9NOCAS 927-63-999.13 g/mol

Open in Covalent MOL file
NO
AldehydeAlkeneTertiary amine

Properties

Molecular formula
C5H9NO
Molar mass
99.13 g/mol
Exact mass
99.0684 Da
Boiling point
143–144 °C (at NaN Torr)
logP
0.26Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
927-63-9
SMILES
CN(C)C=CC=O
InChIKey
RRLMPLDPCKRASL-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenal, 3-(dimethylamino)-
  • Acrolein, 3-(dimethylamino)-
  • 4-Dimethylamino-2-propen-1-al
  • β-(Dimethylamino)acrolein
  • 3-(Dimethylamino)acrolein
  • 3-(Dimethylamino)propenal
  • 3-(Dimethylamino)acrylaldehyde

Work with 3-(Dimethylamino)-2-propenal

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-(Methylphenylamino)-2-propenal14189-82-341 % similar trans-Crotonaldehyde123-73-940 % similar Crotonaldehyde4170-30-340 % similar Dimethylformamide68-12-240 % similar Sorbaldehyde142-83-636 % similar N,N-Dimethyl-2-nitroethenamine1190-92-733 % similar (E)-2-Pentenal1576-87-033 % similar 4-(Dimethylamino)cinnamaldehyde6203-18-532 % similar

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

Same formula

2-Ethyl-2-oxazoline10431-98-8 Butyl isocyanate111-36-4 4-Amino-3-penten-2-one1118-66-7 Cyclopentanone oxime1192-28-5 tert-Butyl isocyanate1609-86-5 3-Ethoxypropanenitrile2141-62-0 N,N-Dimethylacrylamide2680-03-7 N-Methyl-N-vinylacetamide3195-78-6

Elsewhere

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