4-(2-Methylpropyl)pyrrolidin-2-one

C₈H₁₅NOCAS 61312-87-6141.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₅NO
Molar mass: 141.21 g/mol
Exact mass: 141.1154 Da
logP: 1.17Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61312-87-6

SMILES

CC(C)CC1CC(=O)NC1

InChIKey

GUGXRXLTTHFKHC-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO/c1-6(2)3-7-4-8(10)9-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

4-Isobutyl-2-pyrrolidinone

Work with 4-(2-Methylpropyl)pyrrolidin-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

4-(2-Methylpropyl)piperidine-2,6-dione916982-10-064 % similar Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-244 % similar 3-Isobutylglutaric acid75143-89-444 % similar (R)-(+)-4-Hydroxy-2-pyrrolidinone22677-21-042 % similar (S)-4-Hydroxy-2-pyrrolidinone68108-18-942 % similar 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester35309-35-439 % similar 3-(Aminomethyl)-5-methylhexanoic acid128013-69-438 % similar 3-(Aminomethyl)-5-methylhexanoic acid130912-52-638 % 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 5-Dimethylamino-2-methyl-3-pentyn-2-ol25400-83-3 N-Butyl-2-pyrrolidone3470-98-2 N-Heptyl isocyanate4747-81-3 1-Isopropyl-4-piperidinone5355-68-0 N-(1,1-Dimethylethyl)-2-methyl-2-propenamide6554-73-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook