chempirical

1-Pyrrolidinecarbonyl chloride

C5H8ClNOCAS 1192-63-8133.57 g/mol

Open in Covalent MOL file
OClN
Acyl halide

Properties

Molecular formula
C5H8ClNO
Molar mass
133.57 g/mol
Exact mass
133.0294 Da
Density
1.212 g/mL (at 20 °C)
Boiling point
94–96 °C (at 5 Torr)
logP
1.44Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1192-63-8
SMILES
O=C(Cl)N1CCCC1
InChIKey
XACWJIQLDLUFSR-UHFFFAOYSA-N
InChI
InChI=1S/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2

Weigh it out

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

Names and synonyms

2 names
  • 1-Pyrrolidinylcarbonyl chloride
  • Pyrrolidine-1-carbonyl chloride

Work with 1-Pyrrolidinecarbonyl chloride

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,N-Bis(2-chloroethyl)carbamic chloride2998-56-364 % similar 4-Morpholinecarbonyl chloride15159-40-761 % similar Diethylcarbamoyl chloride88-10-852 % similar 4-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-052 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-646 % similar 2-Chloro-1-(1-piperidinyl)ethanone1440-60-444 % similar N-Acetylpyrrolidine4030-18-642 % similar 1-Acetylpiperidine618-42-840 % similar

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

Elsewhere

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