chempirical

1-Benzyl-3-pyrrolidone

C11H13NOCAS 5291-77-0175.23 g/mol

Open in Covalent MOL file
ON
AmideLactam

Properties

Molecular formula
C11H13NO
Molar mass
175.23 g/mol
Exact mass
175.0997 Da
Density
1.0983 g/mL (at 20 °C)
Melting point
89 °C
Boiling point
122.5–123 °C
logP
1.81Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
5291-77-0
SMILES
O=C1CCCN1Cc1ccccc1
InChIKey
LVUQCTGSDJLWCE-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

Weigh it out

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

Names and synonyms

12 names
  • 1-Benzyl-2-pyrrolidinone
  • 2-Pyrrolidinone, 1-(phenylmethyl)-
  • 2-Pyrrolidinone, 1-benzyl-
  • 1-(Phenylmethyl)-2-pyrrolidinone
  • N-Benzylpyrrolidin-2-one
  • N-Benzylpyrrolidone
  • 1-Benzyl-2-pyrrolidone
  • N-Benzyl-2-pyrrolidone
  • 1-Benzylazacyclopentan-2-one
  • 1-Benzyl-2-oxopyrrolidine
  • N-Benzylbutyrolactam
  • NSC 30184

Work with 1-Benzyl-3-pyrrolidone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzylpiperazin-2-one59702-21-558 % similar 1-Phenyl-2-pyrrolidinone4641-57-053 % similar 1-Benzyl-3-piperidone40114-49-653 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-951 % similar N-(Hydroxymethyl)-2-pyrrolidone15438-71-850 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-849 % similar 1-Benzyl-3-piperidone hydrochloride hydrate50606-58-149 % similar 1-Benzyl-4-piperidone3612-20-249 % similar

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

Same formula

3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-1 Indole-3-propanol3569-21-9 4-(1-Pyrrolidinyl)benzaldehyde51980-54-2 4-Butoxybenzonitrile5203-14-5 4-(Dimethylamino)cinnamaldehyde6203-18-5 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-6 4-N-Butylphenyl isocyanate69342-47-8 1-(Phenylmethyl)-3-pyrrolidinone775-16-6

Elsewhere

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