chempirical

4-Amino-3-penten-2-one

C5H9NOCAS 1118-66-799.13 g/mol

Open in Covalent MOL file
ONH2
AlkeneKetonePrimary amine

Properties

Molecular formula
C5H9NO
Molar mass
99.13 g/mol
Exact mass
99.0684 Da
Melting point
43 °C
Boiling point
110–115 °C (at 10 Torr)
logP
0.44Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1118-66-7
SMILES
CC(=O)C=C(C)N
InChIKey
OSLAYKKXCYSJSF-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 3-Penten-2-one, 4-amino-
  • 2-Acetyl-1-amino-1-methylethylene
  • 2-Amino-2-penten-4-one
  • Acetylacetonamine
  • Fluoral P
  • 2-Amino-4-oxo-2-pentene
  • 1-Acetyl-2-amino-1-propene
  • 2-Amino-2-pentene-4-one
  • NSC 44500

Work with 4-Amino-3-penten-2-one

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

Methyl 3-amino-2-butenoate14205-39-148 % similar Isopropyl β-aminocrotonate14205-46-043 % similar Ethyl β-aminocrotonate7318-00-543 % similar Methylglyoxal78-98-839 % similar 3-Penten-2-one625-33-238 % similar Methyl vinyl ketone78-94-438 % similar 4-[(Trimethylsilyl)oxy]-3-penten-2-one13257-81-337 % similar 3-Amino-2-butenenitrile1118-61-233 % 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 Cyclopentanone oxime1192-28-5 Cyclobutanecarboxamide1503-98-6 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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