chempirical

2-(Thien-2-yl)pyrrolidine

C8H11NSCAS 90090-64-5153.24 g/mol

Open in Covalent MOL file
NHS
Secondary amine

Properties

Molecular formula
C8H11NS
Molar mass
153.24 g/mol
Exact mass
153.0612 Da
logP
2.17Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
90090-64-5
SMILES
C1CC(NC1)C2=CC=CS2
InChIKey
BNUVOMNEUJWHCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NS/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2

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Names and synonyms

1 names
  • 2-(Thiophen-2-yl)pyrrolidine

Work with 2-(Thien-2-yl)pyrrolidine

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

2-Phenylpyrrolidine1006-64-052 % similar 2-(Furan-2-yl)pyrrolidine90086-89-847 % similar 2-(2-Bromophenyl)pyrrolidine129540-24-546 % similar 2-Phenylpiperidine3466-80-645 % similar (αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol116539-55-045 % similar 2-(2-Chlorophenyl)pyrrolidine129540-21-244 % similar 2-(2-Methylphenyl)pyrrolidine129540-23-444 % similar 2-(2-Fluorophenyl)pyrrolidine72216-04-744 % similar

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

Same formula

2-(3-Thienyl)pyrrolidine298690-85-4

Elsewhere

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