chempirical

2-Piperidinone

C5H9NOCAS 675-20-799.13 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C5H9NO
Molar mass
99.13 g/mol
Exact mass
99.0684 Da
Melting point
39.5 °C
Boiling point
256 °C
logP
1.13Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
675-20-7
SMILES
OC1=NCCCC1
InChIKey
XUWHAWMETYGRKB-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)

Weigh it out

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

Names and synonyms

10 names
  • 2-Piperidone
  • δ-Valerolactam
  • α-Piperidone
  • Pentanoic acid, 5-amino-, lactam
  • Valerolactim
  • 5-Pentanolactam
  • NSC 18894
  • NSC 2305
  • 2-Oxopiperidine
  • 5-Aminopentanoic acid lactam

Work with 2-Piperidinone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Caprolactam105-60-294 % similar Octahydro-2H-azonin-2-one935-30-894 % similar Laurolactam947-04-694 % similar 2-Pyrrolidone616-45-583 % similar Adelmidrol1675-66-765 % similar 2-Azetidinone930-21-263 % similar Ethylene bis(stearamide)110-30-560 % similar Stearoylethanolamide111-57-952 % 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 Cyclobutanecarboxamide1503-98-6 tert-Butyl isocyanate1609-86-5 3-Ethoxypropanenitrile2141-62-0 N,N-Dimethylacrylamide2680-03-7

Elsewhere

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