chempirical

N-Octylpyrrolidone

C12H23NOCAS 2687-94-7197.32 g/mol

Open in Covalent MOL file
NO
AmideLactam

Properties

Molecular formula
C12H23NO
Molar mass
197.32 g/mol
Exact mass
197.1780 Da
Density
0.92 g/mL
Melting point
−25 °C
Boiling point
170–172 °C (at 15 Torr)
logP
2.97Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

Identifiers

CAS number
2687-94-7
SMILES
CCCCCCCCN1CCCC1=O
InChIKey
WPPOGHDFAVQKLN-UHFFFAOYSA-N
InChI
InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Pyrrolidinone, 1-octyl-
  • 1-Octyl-2-pyrrolidinone
  • N-Octyl-2-pyrrolidone
  • Surfadone LP 100
  • N-Octylpyrrolidinone
  • N-Octyl-2-pyrrolidinone
  • AgsolEx 8
  • N-Octylbutyrolactam
  • 1-Octyl-2-pyrrolidone
  • ISP-LP 100
  • N-n-Octyl-α-pyrrolidone
  • LP 100
  • N-n-Octyl-2-pyrrolidone
  • Flexidone 100

Work with N-Octylpyrrolidone

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

N-Dodecyl-2-pyrrolidone2687-96-9100 % similar Laurocapram59227-89-392 % similar N-Butyl-2-pyrrolidone3470-98-284 % similar Lauric acid diethanolamide120-40-168 % similar N,N-Diethyldodecanamide3352-87-266 % similar N-Ethyl-2-pyrrolidone2687-91-461 % similar N,N-Dimethyldecanamide14433-76-257 % similar 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-253 % similar

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

Same formula

Laurolactam947-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook