2-Piperidinone
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
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H335 May cause respiratory irritation60% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
675-20-7SMILES
OC1=NCCCC1InChIKey
XUWHAWMETYGRKB-UHFFFAOYSA-NInChI
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
Enantholactam673-66-594 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.