2-Chloro-1-(1-pyrrolidinyl)ethanone

C₆H₁₀ClNOCAS 20266-00-6147.60 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₆H₁₀ClNO
Molar mass: 147.60 g/mol
Exact mass: 147.0451 Da
Melting point: 44–46 °C
Boiling point: 112 °C (at 0.5 Torr)
logP: 0.85Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed60% of notifiers
H315 Causes skin irritation80% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation40% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20266-00-6

SMILES

O=C(CCl)N1CCCC1

InChIKey

AAOSLLBWWRKJIR-UHFFFAOYSA-N

InChI

InChI=1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2

Weigh it out

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

Names and synonyms

8 names

Ethanone, 2-chloro-1-(1-pyrrolidinyl)-
Pyrrolidine, 1-(chloroacetyl)-
1-(Chloroacetyl)pyrrolidine
Pyrrolidylcarbonylmethyl chloride
N-(Chloroacetyl)pyrrolidine
2-Chloro-1-(pyrrolidin-1-yl)ethanone
2-Chloro-1-(pyrrolidin-1-yl)ethan-1-one
1-(2-Chloroacetyl)pyrrolidine

Work with 2-Chloro-1-(1-pyrrolidinyl)ethanone

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-Chloro-1-(1-piperidinyl)ethanone1440-60-495 % similar 4-(Chloroacetyl)morpholine1440-61-563 % similar Chloro-N,N-diethylacetamide2315-36-854 % similar β-Oxo-1-pyrrolidinepropanenitrile14227-95-348 % similar β-Oxo-1-piperidinepropanenitrile15029-30-846 % similar 1-Pyrrolidinecarbonyl chloride1192-63-846 % similar 2-Chloro-N,N-dimethylacetamide2675-89-046 % similar 1,1'-Carbonyldipyrrolidine81759-25-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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