3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrroline

C₉H₁₆N₂OCAS 19805-75-5168.24 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₉H₁₆N₂O
Molar mass: 168.24 g/mol
Exact mass: 168.1263 Da
Melting point: 178–179 °C
logP: 1.61Crippen estimate
Polar surface area: 56.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19805-75-5

SMILES

CC1(C)C=C(C(=N)O)C(C)(C)N1

InChIKey

ACFYUJLIWIDSFM-UHFFFAOYSA-N

InChI

InChI=1S/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)

Weigh it out

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

Names and synonyms

8 names

1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-
3-Pyrroline-3-carboxamide, 2,2,5,5-tetramethyl-
2,5-Dihydro-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
3-Aminocarbonyl-2,2,5,5-tetramethyl-3-pyrroline
HO 2
2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide
2,2,5,5-Tetramethyl-1H-pyrrole-3-carboxamide
2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide

Work with 3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrroline

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

3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy3229-73-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1'-Carbonyldipyrrolidine81759-25-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook