chempirical

(R)-5-Bromomethyl-2-pyrrolidinone

C5H8BrNOCAS 98612-60-3178.03 g/mol

Open in Covalent MOL file
OHNBr
Alkyl halideAmideLactam

Properties

Molecular formula
C5H8BrNO
Molar mass
178.03 g/mol
Exact mass
176.9789 Da
logP
0.66Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

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
98612-60-3
SMILES
C1CC(=O)N[C@H]1CBr
InChIKey
QFOSFXPTXNRRMF-SCSAIBSYSA-N
InChI
InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m1/s1

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Names and synonyms

1 names
  • (5R)-5-(Bromomethyl)pyrrolidin-2-one

Work with (R)-5-Bromomethyl-2-pyrrolidinone

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

Sodium pyroglutamate28874-51-337 % similar 2-Chloro-N-cyclohexylacetamide23605-23-436 % similar (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-434 % similar tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-534 % similar N-Butyryl-L-homoserine lactone67605-85-030 % similar

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

Elsewhere

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