chempirical

N-Butyl-2-pyrrolidone

C8H15NOCAS 3470-98-2141.21 g/mol

Open in Covalent MOL file
NO
AmideLactam

Properties

Molecular formula
C8H15NO
Molar mass
141.21 g/mol
Exact mass
141.1154 Da
Density
0.964 g/mL (at 20 °C)
Boiling point
121 °C (at 16 Torr)
logP
1.41Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
3470-98-2
SMILES
CCCCN1CCCC1=O
InChIKey
BNXZHVUCNYMNOS-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Pyrrolidinone, 1-butyl-
  • 1-Butyl-2-pyrrolidinone
  • N-Butylpyrrolidinone
  • N-Butyl-2-pyrrolidinone
  • N-Butylpyrrolidone
  • 1-Butyl-2-pyrrolidone
  • N-Butylbutyrolactam
  • Genagen NBP

Work with N-Butyl-2-pyrrolidone

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-Octylpyrrolidone2687-94-784 % similar N-Dodecyl-2-pyrrolidone2687-96-984 % similar Laurocapram59227-89-377 % similar N-Ethyl-2-pyrrolidone2687-91-465 % similar Lauric acid diethanolamide120-40-161 % similar N,N-Diethyldodecanamide3352-87-259 % similar Tetrabutylurea4559-86-858 % similar 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-257 % similar

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

Same formula

Tropine120-29-6 Pseudotropine135-97-7 1-Propyl-4-piperidone23133-37-1 1-Isopropyl-4-piperidinone5355-68-0 N-(1,1-Dimethylethyl)-2-methyl-2-propenamide6554-73-0 Octahydro-2H-azonin-2-one935-30-8

Elsewhere

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