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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

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

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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 4-Methyl-1-piperazinecarbonyl chloride39539-66-758 % similar 1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride143254-82-453 % similar Diethylcarbamoyl chloride88-10-852 % similar 4-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-052 % similar 1,1'-Carbonyldipyrrolidine81759-25-348 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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